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

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]pyrrole-3-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[(m-tolylmethylamino)methyl]pyrrole-3-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]pyrrole-3-carboxylic acid Traditional Name: 1-m-anisyl-2,5-dimethyl-4-[[(3-methylbenzyl)amino]methyl]pyrrole-3-carboxylic acid Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNCC2=C(N(C(=C2C(=O)O)C)CC3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)CNCC2=C(N(C(=C2C(=O)O)C)CC3=CC(=CC=C3)OC)C

InChI

InChI=1S/C24H28N2O3/c1-16-7-5-8-19(11-16)13-25-14-22-17(2)26(18(3)23(22)24(27)28)15-20-9-6-10-21(12-20)29-4/h5-12,25H,13-15H2,1-4H3,(H,27,28)