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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O2/c1-17-10-12-21(13-11-17)16-27-19(3)23(24(20(27)4)25(28)29)15-26-14-18(2)22-8-6-5-7-9-22/h5-13,18,26H,14-16H2,1-4H3,(H,28,29)