ethyl 2-[2-[[3-(aminocarbonylamino)phenyl]carbonylamino]ethanoylamino]pent-4-ynoate

Systemtic Name: ethyl 2-[2-[[3-(aminocarbonylamino)phenyl]carbonylamino]ethanoylamino]pent-4-ynoate Openeye Name: ethyl 2-[[2-[(3-ureidobenzoyl)amino]acetyl]amino]pent-4-ynoate CAS Name: 2-[[2-[[[3-(carbamoylamino)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-4-pentynoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[3-(carbamoylamino)benzoyl]amino]acetyl]amino]pent-4-ynoate Traditional Name: 2-[[2-[(3-ureidobenzoyl)amino]acetyl]amino]pent-4-ynoic acid ethyl ester Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC#C)NC(=O)CNC(=O)C1=CC(=CC=C1)NC(=O)N

Isomeric SMILES

CCOC(=O)C(CC#C)NC(=O)CNC(=O)C1=CC(=CC=C1)NC(=O)N

InChI

InChI=1S/C17H20N4O5/c1-3-6-13(16(24)26-4-2)21-14(22)10-19-15(23)11-7-5-8-12(9-11)20-17(18)25/h1,5,7-9,13H,4,6,10H2,2H3,(H,19,23)(H,21,22)(H3,18,20,25)