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

Systemtic Name: 4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxylic acid Openeye Name: 4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2,5-dimethyl-1-(m-tolylmethyl)pyrrole-3-carboxylic acid CAS Name: 4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxylic acid Traditional Name: 2,5-dimethyl-1-(3-methylbenzyl)-4-[(piperonylamino)methyl]pyrrole-3-carboxylic acid Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=C(C(=C2C)C(=O)O)CNCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=C(C(=C2C)C(=O)O)CNCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C24H26N2O4/c1-15-5-4-6-19(9-15)13-26-16(2)20(23(17(26)3)24(27)28)12-25-11-18-7-8-21-22(10-18)30-14-29-21/h4-10,25H,11-14H2,1-3H3,(H,27,28)