1-[(5-chloranyl-2-methoxy-phenyl)-quinolin-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-quinolin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(2-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(2-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-quinolin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(2-quinolyl)methyl]nipecotic acid Formula: C23H23ClN2O3 MolecularWeight: 410.89332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=NC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=NC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C23H23ClN2O3/c1-29-21-11-9-17(24)13-18(21)22(26-12-4-6-16(14-26)23(27)28)20-10-8-15-5-2-3-7-19(15)25-20/h2-3,5,7-11,13,16,22H,4,6,12,14H2,1H3,(H,27,28)