[3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl] 1-(3-phenylpropyl)piperidine-3-carboxylate

Systemtic Name: [3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl] 1-(3-phenylpropyl)piperidine-3-carboxylate Openeye Name: [3-hydroxy-3-(6-methoxy-4-quinolyl)propyl] 1-(3-phenylpropyl)piperidine-3-carboxylate CAS Name: 1-(3-phenylpropyl)-3-piperidinecarboxylic acid [3-hydroxy-3-(6-methoxy-4-quinolinyl)propyl] ester IUPAC Name: [3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl] 1-(3-phenylpropyl)piperidine-3-carboxylate Traditional Name: 1-(3-phenylpropyl)nipecotic acid [3-hydroxy-3-(6-methoxy-4-quinolyl)propyl] ester Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CCOC(=O)C3CCCN(C3)CCCC4=CC=CC=C4)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CCOC(=O)C3CCCN(C3)CCCC4=CC=CC=C4)O

InChI

InChI=1S/C28H34N2O4/c1-33-23-11-12-26-25(19-23)24(13-15-29-26)27(31)14-18-34-28(32)22-10-6-17-30(20-22)16-5-9-21-7-3-2-4-8-21/h2-4,7-8,11-13,15,19,22,27,31H,5-6,9-10,14,16-18,20H2,1H3