1-[3-methyl-1-[4-(3-methylphenyl)phenyl]butyl]pyrrole-2-carboxylic acid

Systemtic Name: 1-[3-methyl-1-[4-(3-methylphenyl)phenyl]butyl]pyrrole-2-carboxylic acid Openeye Name: 1-[3-methyl-1-[4-(m-tolyl)phenyl]butyl]pyrrole-2-carboxylic acid CAS Name: 1-[3-methyl-1-[4-(3-methylphenyl)phenyl]butyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[3-methyl-1-[4-(3-methylphenyl)phenyl]butyl]pyrrole-2-carboxylic acid Traditional Name: 1-[3-methyl-1-[4-(m-tolyl)phenyl]butyl]pyrrole-2-carboxylic acid Formula: C23H25NO2 MolecularWeight: 347.4501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC=C(C=C2)C(CC(C)C)N3C=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)C(CC(C)C)N3C=CC=C3C(=O)O

InChI

InChI=1S/C23H25NO2/c1-16(2)14-22(24-13-5-8-21(24)23(25)26)19-11-9-18(10-12-19)20-7-4-6-17(3)15-20/h4-13,15-16,22H,14H2,1-3H3,(H,25,26)