F1Z
ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate
Created: | 2018-05-17 |
Last modified: | 2018-11-07 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 40 |
Chiral Atom Count | 0 |
Bond Count | 40 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate |
Systematic Name (OpenEye OEToolkits) | ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate |
Formula | C15 H19 N3 O3 |
Molecular Weight | 289.33 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(N)cc1 |
SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(cc1)N |
Canonical SMILES | CACTVS | 3.385 | CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(N)cc1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(cc1)N |
InChI | InChI | 1.03 | InChI=1S/C15H19N3O3/c1-3-9-18(11-12-5-7-13(16)8-6-12)15(20)17-10-14(19)21-4-2/h1,5-8H,4,9-11,16H2,2H3,(H,17,20) |
InChIKey | InChI | 1.03 | XRVDTFOBXOWARD-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 137349304 |