[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-benzamido-3-phenyl-propanoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-benzamido-3-phenyl-propanoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 2-benzamido-3-phenyl-propanoate CAS Name: 2-benzamido-3-phenylpropanoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 2-benzamido-3-phenylpropanoate Traditional Name: 2-benzamido-3-phenyl-propionic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C27H22N4O4 MolecularWeight: 466.48798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H22N4O4/c28-16-20(25-29-21-13-7-8-14-22(21)30-25)24(32)17-35-27(34)23(15-18-9-3-1-4-10-18)31-26(33)19-11-5-2-6-12-19/h1-14,23,29-30H,15,17H2,(H,31,33)