ethyl 4-[2-[(3-chlorophenyl)carbamoyl-cyclopropyl-amino]ethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[2-[(3-chlorophenyl)carbamoyl-cyclopropyl-amino]ethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-[(3-chlorophenyl)carbamoyl-cyclopropyl-amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[[(3-chloroanilino)-oxomethyl]-cyclopropylamino]-1-oxoethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3-chlorophenyl)carbamoyl-cyclopropylamino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[(3-chlorophenyl)carbamoyl-cyclopropyl-amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C21H24ClN3O4 MolecularWeight: 417.88596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN(C2CC2)C(=O)NC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN(C2CC2)C(=O)NC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C21H24ClN3O4/c1-4-29-20(27)19-12(2)18(13(3)23-19)17(26)11-25(16-8-9-16)21(28)24-15-7-5-6-14(22)10-15/h5-7,10,16,23H,4,8-9,11H2,1-3H3,(H,24,28)