[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-benzamidobenzoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-benzamidobenzoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 2-benzamidobenzoate CAS Name: 2-benzamidobenzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-benzamidobenzoate Traditional Name: 2-benzamidobenzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C27H25N3O4 MolecularWeight: 455.5051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C27H25N3O4/c1-19-15-20(2)17-22(16-19)30(14-8-13-28)25(31)18-34-27(33)23-11-6-7-12-24(23)29-26(32)21-9-4-3-5-10-21/h3-7,9-12,15-17H,8,14,18H2,1-2H3,(H,29,32)