4-[1-[5-(4-chlorophenyl)carbonyl-4-methyl-1H-pyrrol-2-yl]ethyl]benzoic acid

Systemtic Name: 4-[1-[5-(4-chlorophenyl)carbonyl-4-methyl-1H-pyrrol-2-yl]ethyl]benzoic acid Openeye Name: 4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]benzoic acid CAS Name: 4-[1-[5-[(4-chlorophenyl)-oxomethyl]-4-methyl-1H-pyrrol-2-yl]ethyl]benzoic acid IUPAC Name: 4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]benzoic acid Traditional Name: 4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]benzoic acid Formula: C21H18ClNO3 MolecularWeight: 367.82552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1)C(C)C2=CC=C(C=C2)C(=O)O)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(NC(=C1)C(C)C2=CC=C(C=C2)C(=O)O)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClNO3/c1-12-11-18(13(2)14-3-5-16(6-4-14)21(25)26)23-19(12)20(24)15-7-9-17(22)10-8-15/h3-11,13,23H,1-2H3,(H,25,26)