[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamidobenzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamidobenzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-benzamidobenzoate CAS Name: 2-benzamidobenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-benzamidobenzoate Traditional Name: 2-benzamidobenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C25H21N3O4 MolecularWeight: 427.45194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C25H21N3O4/c26-16-9-17-28(20-12-5-2-6-13-20)23(29)18-32-25(31)21-14-7-8-15-22(21)27-24(30)19-10-3-1-4-11-19/h1-8,10-15H,9,17-18H2,(H,27,30)