2,5-dimethyl-1-[(4-methylphenyl)methyl]-4-[(3-phenylpropylamino)methyl]pyrrole-3-carboxylic acid

Systemtic Name: 2,5-dimethyl-1-[(4-methylphenyl)methyl]-4-[(3-phenylpropylamino)methyl]pyrrole-3-carboxylic acid Openeye Name: 2,5-dimethyl-4-[(3-phenylpropylamino)methyl]-1-(p-tolylmethyl)pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-1-[(4-methylphenyl)methyl]-4-[(3-phenylpropylamino)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 2,5-dimethyl-1-[(4-methylphenyl)methyl]-4-[(3-phenylpropylamino)methyl]pyrrole-3-carboxylic acid Traditional Name: 2,5-dimethyl-1-(4-methylbenzyl)-4-[(3-phenylpropylamino)methyl]pyrrole-3-carboxylic acid Formula: C25H30N2O2 MolecularWeight: 390.5179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=C2C)C(=O)O)CNCCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=C2C)C(=O)O)CNCCCC3=CC=CC=C3)C

InChI

InChI=1S/C25H30N2O2/c1-18-11-13-22(14-12-18)17-27-19(2)23(24(20(27)3)25(28)29)16-26-15-7-10-21-8-5-4-6-9-21/h4-6,8-9,11-14,26H,7,10,15-17H2,1-3H3,(H,28,29)