4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-chloroethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-chloroethyl)piperidine-4-carboxylic acid Openeye Name: 1-(2-chloroethyl)-4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]piperidine-4-carboxylic acid CAS Name: 1-(2-chloroethyl)-4-[3-(3-chloro-6-methoxy-4-quinolinyl)propyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-chloroethyl)-4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]piperidine-4-carboxylic acid Traditional Name: 1-(2-chloroethyl)-4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]isonipecotic acid Formula: C21H26Cl2N2O3 MolecularWeight: 425.34874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCC3(CCN(CC3)CCCl)C(=O)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCC3(CCN(CC3)CCCl)C(=O)O

InChI

InChI=1S/C21H26Cl2N2O3/c1-28-15-4-5-19-17(13-15)16(18(23)14-24-19)3-2-6-21(20(26)27)7-10-25(11-8-21)12-9-22/h4-5,13-14H,2-3,6-12H2,1H3,(H,26,27)