1-[(4-dimethylaminophenyl)-quinolin-4-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-quinolin-4-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(4-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(4-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-quinolin-4-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(4-quinolyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC=NC3=CC=CC=C23)N4CCCC(C4)C(=O)O

InChI

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