2-oxidanylbutanedioic acid; 1-[4-(2-oxidanyl-3-quinolin-5-yloxy-propyl)piperazin-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 2-oxidanylbutanedioic acid; 1-[4-(2-oxidanyl-3-quinolin-5-yloxy-propyl)piperazin-1-yl]-2,2-diphenyl-ethanone Openeye Name: 2-hydroxybutanedioic acid; 1-[4-[2-hydroxy-3-(5-quinolyloxy)propyl]piperazin-1-yl]-2,2-diphenyl-ethanone CAS Name: 2-hydroxybutanedioic acid; 1-[4-[2-hydroxy-3-(5-quinolinyloxy)propyl]-1-piperazinyl]-2,2-diphenylethanone IUPAC Name: 2-hydroxybutanedioic acid; 1-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-[2-hydroxy-3-(5-quinolyloxy)propyl]piperazino]-2,2-diphenyl-ethanone; malic acid Formula: C34H37N3O8 MolecularWeight: 615.67288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5.C(C(C(=O)O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5.C(C(C(=O)O)O)C(=O)O

InChI

InChI=1S/C30H31N3O3.C4H6O5/c34-25(22-36-28-15-7-14-27-26(28)13-8-16-31-27)21-32-17-19-33(20-18-32)30(35)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24;5-2(4(8)9)1-3(6)7/h1-16,25,29,34H,17-22H2;2,5H,1H2,(H,6,7)(H,8,9)