1-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[p-tolyl(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[p-tolyl(1H-pyrrol-2-yl)methyl]isonipecotic acid Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CN2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CN2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H22N2O2/c1-13-4-6-14(7-5-13)17(16-3-2-10-19-16)20-11-8-15(9-12-20)18(21)22/h2-7,10,15,17,19H,8-9,11-12H2,1H3,(H,21,22)