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

Systemtic Name: ethyl 4-[1-(4-bromophenyl)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[1-(4-bromophenyl)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[1-(4-bromophenyl)ethylamino]-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-bromophenyl)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[1-(4-bromophenyl)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C18H21BrN2O3 MolecularWeight: 393.27494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC(C)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC(C)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C18H21BrN2O3/c1-5-24-18(23)16-10(2)15(12(4)20-16)17(22)21-11(3)13-6-8-14(19)9-7-13/h6-9,11,20H,5H2,1-4H3,(H,21,22)