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

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic 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] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C24H23N3O5 MolecularWeight: 433.45652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O5/c1-15-16(2)27(18-8-6-5-7-9-18)23(21(15)13-25)26-22(28)14-32-24(29)17-10-19(30-3)12-20(11-17)31-4/h5-12H,14H2,1-4H3,(H,26,28)