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

Systemtic Name: 2,5-dimethyl-1-[(4-methylphenyl)methyl]-4-[(4-phenylbutan-2-ylamino)methyl]pyrrole-3-carboxylic acid Openeye Name: 2,5-dimethyl-4-[[(1-methyl-3-phenyl-propyl)amino]methyl]-1-(p-tolylmethyl)pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-1-[(4-methylphenyl)methyl]-4-[(4-phenylbutan-2-ylamino)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 2,5-dimethyl-1-[(4-methylphenyl)methyl]-4-[(4-phenylbutan-2-ylamino)methyl]pyrrole-3-carboxylic acid Traditional Name: 2,5-dimethyl-1-(4-methylbenzyl)-4-[[(1-methyl-3-phenyl-propyl)amino]methyl]pyrrole-3-carboxylic acid Formula: C26H32N2O2 MolecularWeight: 404.54448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=C2C)C(=O)O)CNC(C)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=C2C)C(=O)O)CNC(C)CCC3=CC=CC=C3)C

InChI

InChI=1S/C26H32N2O2/c1-18-10-13-23(14-11-18)17-28-20(3)24(25(21(28)4)26(29)30)16-27-19(2)12-15-22-8-6-5-7-9-22/h5-11,13-14,19,27H,12,15-17H2,1-4H3,(H,29,30)