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

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[[(2-methylphenyl)methylamino]methyl]pyrrole-3-carboxylic acid Openeye Name: 2,5-dimethyl-4-[(o-tolylmethylamino)methyl]-1-[(4-vinylphenyl)methyl]pyrrole-3-carboxylic acid CAS Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[[(2-methylphenyl)methylamino]methyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[[(2-methylphenyl)methylamino]methyl]pyrrole-3-carboxylic acid Traditional Name: 2,5-dimethyl-4-[[(2-methylbenzyl)amino]methyl]-1-(4-vinylbenzyl)pyrrole-3-carboxylic acid Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNCC2=C(N(C(=C2C(=O)O)C)CC3=CC=C(C=C3)C=C)C

Isomeric SMILES

CC1=CC=CC=C1CNCC2=C(N(C(=C2C(=O)O)C)CC3=CC=C(C=C3)C=C)C

InChI

InChI=1S/C25H28N2O2/c1-5-20-10-12-21(13-11-20)16-27-18(3)23(24(19(27)4)25(28)29)15-26-14-22-9-7-6-8-17(22)2/h5-13,26H,1,14-16H2,2-4H3,(H,28,29)