[2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(4-cyanophenyl)propanoate

Systemtic Name: [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(4-cyanophenyl)propanoate Openeye Name: [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-(4-cyanophenyl)propanoate CAS Name: 3-(4-cyanophenyl)propanoic acid [2-(1-benzamido-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 3-(4-cyanophenyl)propanoate Traditional Name: 3-(4-cyanophenyl)propionic acid [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)COC(=O)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)COC(=O)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H23N3O4/c1-17-14-22(18(2)28(17)27-25(31)21-6-4-3-5-7-21)23(29)16-32-24(30)13-12-19-8-10-20(15-26)11-9-19/h3-11,14H,12-13,16H2,1-2H3,(H,27,31)