ethanedioic acid; 1-(3-methylbutyl)-5-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one

Systemtic Name: ethanedioic acid; 1-(3-methylbutyl)-5-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one Openeye Name: 5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-1-isopentyl-3,4-dihydroquinolin-2-one; oxalic acid CAS Name: 5-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]-1-(3-methylbutyl)-3,4-dihydroquinolin-2-one; oxalic acid IUPAC Name: 5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-1-(3-methylbutyl)-3,4-dihydroquinolin-2-one; oxalic acid Traditional Name: 5-[2-hydroxy-3-(4-phenylpiperazino)propoxy]-1-isoamyl-3,4-dihydrocarbostyril; oxalic acid Formula: C29H39N3O7 MolecularWeight: 541.63586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)CCC2=C1C=CC=C2OCC(CN3CCN(CC3)C4=CC=CC=C4)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CCN1C(=O)CCC2=C1C=CC=C2OCC(CN3CCN(CC3)C4=CC=CC=C4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H37N3O3.C2H2O4/c1-21(2)13-14-30-25-9-6-10-26(24(25)11-12-27(30)32)33-20-23(31)19-28-15-17-29(18-16-28)22-7-4-3-5-8-22;3-1(4)2(5)6/h3-10,21,23,31H,11-20H2,1-2H3;(H,3,4)(H,5,6)