ethanedioic acid; 3-[1-heptyl-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]propanamide

Systemtic Name: ethanedioic acid; 3-[1-heptyl-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]propanamide Openeye Name: 3-[1-heptyl-4-[3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]propanamide; oxalic acid CAS Name: 3-[1-heptyl-4-[3-(6-methoxy-4-quinolinyl)propyl]-3-piperidinyl]propanamide; oxalic acid IUPAC Name: 3-[1-heptyl-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]propanamide; oxalic acid Traditional Name: 3-[1-heptyl-4-[3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]propionamide; oxalic acid Formula: C30H45N3O6 MolecularWeight: 543.6948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCC(C(C1)CCC(=O)N)CCCC2=C3C=C(C=CC3=NC=C2)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCN1CCC(C(C1)CCC(=O)N)CCCC2=C3C=C(C=CC3=NC=C2)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H43N3O2.C2H2O4/c1-3-4-5-6-7-18-31-19-16-22(24(21-31)11-14-28(29)32)9-8-10-23-15-17-30-27-13-12-25(33-2)20-26(23)27;3-1(4)2(5)6/h12-13,15,17,20,22,24H,3-11,14,16,18-19,21H2,1-2H3,(H2,29,32);(H,3,4)(H,5,6)