ethyl 4-[4-[(3-cyanophenyl)carbamoyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[4-[(3-cyanophenyl)carbamoyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[4-[(3-cyanophenyl)carbamoyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[4-[(3-cyanoanilino)-oxomethyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-cyanophenyl)carbamoyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-[(3-cyanophenyl)carbamoyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C23H21N3O3/c1-4-29-23(28)21-14(2)20(15(3)25-21)17-8-10-18(11-9-17)22(27)26-19-7-5-6-16(12-19)13-24/h5-12,25H,4H2,1-3H3,(H,26,27)