1-[(2-chlorophenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-chlorophenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-chlorophenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-chlorophenyl)-(1-methyl-2-pyrrolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-chlorophenyl)-(1-methylpyrrol-2-yl)methyl]isonipecotic acid Formula: C18H21ClN2O2 MolecularWeight: 332.82454

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(C2=CC=CC=C2Cl)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN1C=CC=C1C(C2=CC=CC=C2Cl)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H21ClN2O2/c1-20-10-4-7-16(20)17(14-5-2-3-6-15(14)19)21-11-8-13(9-12-21)18(22)23/h2-7,10,13,17H,8-9,11-12H2,1H3,(H,22,23)