ethanedioic acid; 1-hexyl-7-[3-(4-phenylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one

Systemtic Name: ethanedioic acid; 1-hexyl-7-[3-(4-phenylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one Openeye Name: 1-hexyl-7-[3-(4-phenyl-1-piperidyl)propoxy]-3,4-dihydroquinolin-2-one; oxalic acid CAS Name: 1-hexyl-7-[3-(4-phenyl-1-piperidinyl)propoxy]-3,4-dihydroquinolin-2-one; oxalic acid IUPAC Name: 1-hexyl-7-[3-(4-phenylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one; oxalic acid Traditional Name: 1-hexyl-7-[3-(4-phenylpiperidino)propoxy]-3,4-dihydrocarbostyril; oxalic acid Formula: C31H42N2O6 MolecularWeight: 538.67498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)CCC2=C1C=C(C=C2)OCCCN3CCC(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCN1C(=O)CCC2=C1C=C(C=C2)OCCCN3CCC(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C29H40N2O2.C2H2O4/c1-2-3-4-8-19-31-28-23-27(14-12-26(28)13-15-29(31)32)33-22-9-18-30-20-16-25(17-21-30)24-10-6-5-7-11-24;3-1(4)2(5)6/h5-7,10-12,14,23,25H,2-4,8-9,13,15-22H2,1H3;(H,3,4)(H,5,6)