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

Systemtic Name: 1-[(4-propan-2-ylphenyl)-quinolin-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-isopropylphenyl)-(3-quinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-propan-2-ylphenyl)-(3-quinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-propan-2-ylphenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[p-cumenyl(3-quinolyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCCC4C(=O)O

InChI

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