[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-phenyl-propanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-phenyl-propanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-benzamido-3-phenyl-propanoate CAS Name: 2-benzamido-3-phenylpropanoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate Traditional Name: 2-benzamido-3-phenyl-propionic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H23N3O4/c27-16-17-29(22-14-8-3-9-15-22)24(30)19-33-26(32)23(18-20-10-4-1-5-11-20)28-25(31)21-12-6-2-7-13-21/h1-15,23H,17-19H2,(H,28,31)