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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=C2C)C(=O)O)CNCCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=C2C)C(=O)O)CNCCCC3=CC=CC=C3)C

InChI

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