ethanedioic acid; 1-[1-[4-(4-piperazin-1-ylbutoxy)phenyl]carbonylpiperidin-4-yl]-3,4-dihydroquinolin-2-one

Systemtic Name: ethanedioic acid; 1-[1-[4-(4-piperazin-1-ylbutoxy)phenyl]carbonylpiperidin-4-yl]-3,4-dihydroquinolin-2-one Openeye Name: oxalic acid; 1-[1-[4-(4-piperazin-1-ylbutoxy)benzoyl]-4-piperidyl]-3,4-dihydroquinolin-2-one CAS Name: oxalic acid; 1-[1-[oxo-[4-[4-(1-piperazinyl)butoxy]phenyl]methyl]-4-piperidinyl]-3,4-dihydroquinolin-2-one IUPAC Name: oxalic acid; 1-[1-[4-(4-piperazin-1-ylbutoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one Traditional Name: oxalic acid; 1-[1-[4-(4-piperazinobutoxy)benzoyl]-4-piperidyl]-3,4-dihydrocarbostyril Formula: C33H42N4O11 MolecularWeight: 670.70678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(=O)CCC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)OCCCCN5CCNCC5.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2C(=O)CCC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)OCCCCN5CCNCC5.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C29H38N4O3.2C2H2O4/c34-28-12-9-23-5-1-2-6-27(23)33(28)25-13-18-32(19-14-25)29(35)24-7-10-26(11-8-24)36-22-4-3-17-31-20-15-30-16-21-31;2*3-1(4)2(5)6/h1-2,5-8,10-11,25,30H,3-4,9,12-22H2;2*(H,3,4)(H,5,6)