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

Systemtic Name: ethanedioic acid; 1-methyl-5-[2-oxidanyl-3-[4-(phenylmethyl)piperidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one Openeye Name: 5-[3-(4-benzyl-1-piperidyl)-2-hydroxy-propoxy]-1-methyl-3,4-dihydroquinolin-2-one; oxalic acid CAS Name: 5-[2-hydroxy-3-[4-(phenylmethyl)-1-piperidinyl]propoxy]-1-methyl-3,4-dihydroquinolin-2-one; oxalic acid IUPAC Name: 5-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]-1-methyl-3,4-dihydroquinolin-2-one; oxalic acid Traditional Name: 5-[3-(4-benzylpiperidino)-2-hydroxy-propoxy]-1-methyl-3,4-dihydrocarbostyril; oxalic acid Formula: C27H34N2O7 MolecularWeight: 498.56806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CCC2=C1C=CC=C2OCC(CN3CCC(CC3)CC4=CC=CC=C4)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C(=O)CCC2=C1C=CC=C2OCC(CN3CCC(CC3)CC4=CC=CC=C4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H32N2O3.C2H2O4/c1-26-23-8-5-9-24(22(23)10-11-25(26)29)30-18-21(28)17-27-14-12-20(13-15-27)16-19-6-3-2-4-7-19;3-1(4)2(5)6/h2-9,20-21,28H,10-18H2,1H3;(H,3,4)(H,5,6)