[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-phenylphenyl)carbonylamino]ethanoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-phenylphenyl)carbonylamino]ethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 2-[(4-phenylbenzoyl)amino]acetate CAS Name: 2-[[oxo-(4-phenylphenyl)methyl]amino]acetic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate Traditional Name: 2-[(4-phenylbenzoyl)amino]acetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H25N3O4/c1-20(27(33)30(18-8-17-28)24-11-6-3-7-12-24)34-25(31)19-29-26(32)23-15-13-22(14-16-23)21-9-4-2-5-10-21/h2-7,9-16,20H,8,18-19H2,1H3,(H,29,32)