1-[(4-propan-2-ylphenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-propan-2-ylphenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-isopropylphenyl)-(3-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-propan-2-ylphenyl)-(3-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-propan-2-ylphenyl)-quinolin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[p-cumenyl(3-quinolyl)methyl]nipecotic acid Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C25H28N2O2/c1-17(2)18-9-11-19(12-10-18)24(27-13-5-7-21(16-27)25(28)29)22-14-20-6-3-4-8-23(20)26-15-22/h3-4,6,8-12,14-15,17,21,24H,5,7,13,16H2,1-2H3,(H,28,29)