[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(phenylcarbonyl)benzoate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(phenylcarbonyl)benzoate Openeye Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 2-benzoylbenzoate CAS Name: 2-benzoylbenzoic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl] 2-benzoylbenzoate Traditional Name: 2-benzoylbenzoic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C29H23N3O4 MolecularWeight: 477.51062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C29H23N3O4/c1-19-20(2)32(22-13-7-4-8-14-22)28(25(19)17-30)31-26(33)18-36-29(35)24-16-10-9-15-23(24)27(34)21-11-5-3-6-12-21/h3-16H,18H2,1-2H3,(H,31,33)