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

Systemtic Name: 2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-[(phenethylamino)methyl]pyrrole-3-carboxylic acid Openeye Name: 2,5-dimethyl-1-(m-tolylmethyl)-4-[(phenethylamino)methyl]pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-[(phenethylamino)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-[(phenethylamino)methyl]pyrrole-3-carboxylic acid Traditional Name: 2,5-dimethyl-1-(3-methylbenzyl)-4-[(phenethylamino)methyl]pyrrole-3-carboxylic acid Formula: C24H28N2O2 MolecularWeight: 376.49132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=C(C(=C2C)C(=O)O)CNCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=C(C(=C2C)C(=O)O)CNCCC3=CC=CC=C3)C

InChI

InChI=1S/C24H28N2O2/c1-17-8-7-11-21(14-17)16-26-18(2)22(23(19(26)3)24(27)28)15-25-13-12-20-9-5-4-6-10-20/h4-11,14,25H,12-13,15-16H2,1-3H3,(H,27,28)