1-[(4-dimethylaminophenyl)-quinolin-4-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-quinolin-4-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(4-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(4-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(4-quinolyl)methyl]isonipecotic acid Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC=NC3=CC=CC=C23)N4CCC(CC4)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC=NC3=CC=CC=C23)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C24H27N3O2/c1-26(2)19-9-7-17(8-10-19)23(27-15-12-18(13-16-27)24(28)29)21-11-14-25-22-6-4-3-5-20(21)22/h3-11,14,18,23H,12-13,15-16H2,1-2H3,(H,28,29)