ethanedioic acid; 5-[2-oxidanyl-3-[4-(phenylmethyl)piperidin-1-yl]propoxy]-1-prop-2-enyl-3,4-dihydroquinolin-2-one

Systemtic Name: ethanedioic acid; 5-[2-oxidanyl-3-[4-(phenylmethyl)piperidin-1-yl]propoxy]-1-prop-2-enyl-3,4-dihydroquinolin-2-one Openeye Name: 1-allyl-5-[3-(4-benzyl-1-piperidyl)-2-hydroxy-propoxy]-3,4-dihydroquinolin-2-one; oxalic acid CAS Name: 5-[2-hydroxy-3-[4-(phenylmethyl)-1-piperidinyl]propoxy]-1-prop-2-enyl-3,4-dihydroquinolin-2-one; oxalic acid IUPAC Name: 5-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]-1-prop-2-enyl-3,4-dihydroquinolin-2-one; oxalic acid Traditional Name: 1-allyl-5-[3-(4-benzylpiperidino)-2-hydroxy-propoxy]-3,4-dihydrocarbostyril; oxalic acid Formula: C29H36N2O7 MolecularWeight: 524.60534

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)CCC2=C1C=CC=C2OCC(CN3CCC(CC3)CC4=CC=CC=C4)O.C(=O)(C(=O)O)O

Isomeric SMILES

C=CCN1C(=O)CCC2=C1C=CC=C2OCC(CN3CCC(CC3)CC4=CC=CC=C4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H34N2O3.C2H2O4/c1-2-15-29-25-9-6-10-26(24(25)11-12-27(29)31)32-20-23(30)19-28-16-13-22(14-17-28)18-21-7-4-3-5-8-21;3-1(4)2(5)6/h2-10,22-23,30H,1,11-20H2;(H,3,4)(H,5,6)