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

Systemtic Name: ethyl 2-[2-[[3-[(phenylmethyl)carbamoylamino]phenyl]carbonylamino]ethanoylamino]pent-4-ynoate Openeye Name: ethyl 2-[[2-[[3-(benzylcarbamoylamino)benzoyl]amino]acetyl]amino]pent-4-ynoate CAS Name: 2-[[1-oxo-2-[[oxo-[3-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]methyl]amino]ethyl]amino]-4-pentynoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[3-(benzylcarbamoylamino)benzoyl]amino]acetyl]amino]pent-4-ynoate Traditional Name: 2-[[2-[[3-(benzylcarbamoylamino)benzoyl]amino]acetyl]amino]pent-4-ynoic acid ethyl ester Formula: C24H26N4O5 MolecularWeight: 450.48704

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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)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CC#C)NC(=O)CNC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C24H26N4O5/c1-3-9-20(23(31)33-4-2)28-21(29)16-25-22(30)18-12-8-13-19(14-18)27-24(32)26-15-17-10-6-5-7-11-17/h1,5-8,10-14,20H,4,9,15-16H2,2H3,(H,25,30)(H,28,29)(H2,26,27,32)