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

Systemtic Name: ethyl 4-[4-[(3-bromophenyl)carbamoyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[4-[(3-bromophenyl)carbamoyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[4-[(3-bromoanilino)-oxomethyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-bromophenyl)carbamoyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-[(3-bromophenyl)carbamoyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O3/c1-4-28-22(27)20-13(2)19(14(3)24-20)15-8-10-16(11-9-15)21(26)25-18-7-5-6-17(23)12-18/h5-12,24H,4H2,1-3H3,(H,25,26)