2,5-dimethyl-1-[3-[methyl-(phenylmethyl)amino]propyl]pyrrole-3-carboxylic acid

Systemtic Name: 2,5-dimethyl-1-[3-[methyl-(phenylmethyl)amino]propyl]pyrrole-3-carboxylic acid Openeye Name: 1-[3-[benzyl(methyl)amino]propyl]-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-1-[3-[methyl-(phenylmethyl)amino]propyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-[3-[benzyl(methyl)amino]propyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-[3-[benzyl(methyl)amino]propyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C18H24N2O2 MolecularWeight: 300.39536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCN(C)CC2=CC=CC=C2)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1CCCN(C)CC2=CC=CC=C2)C)C(=O)O

InChI

InChI=1S/C18H24N2O2/c1-14-12-17(18(21)22)15(2)20(14)11-7-10-19(3)13-16-8-5-4-6-9-16/h4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,21,22)