1-[(3,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(1-methyl-2-pyrrolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methyl]isonipecotic acid Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(C2=CC(=C(C=C2)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN1C=CC=C1C(C2=CC(=C(C=C2)OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H26N2O4/c1-21-10-4-5-16(21)19(22-11-8-14(9-12-22)20(23)24)15-6-7-17(25-2)18(13-15)26-3/h4-7,10,13-14,19H,8-9,11-12H2,1-3H3,(H,23,24)