ethanedioic acid; 8-ethyl-6-[4-[methyl(phenethyl)amino]piperidin-1-yl]carbonyl-1H-quinolin-2-one

Systemtic Name: ethanedioic acid; 8-ethyl-6-[4-[methyl(phenethyl)amino]piperidin-1-yl]carbonyl-1H-quinolin-2-one Openeye Name: 8-ethyl-6-[4-[methyl(phenethyl)amino]piperidine-1-carbonyl]-1H-quinolin-2-one; oxalic acid CAS Name: 8-ethyl-6-[[4-[methyl(phenethyl)amino]-1-piperidinyl]-oxomethyl]-1H-quinolin-2-one; oxalic acid IUPAC Name: 8-ethyl-6-[4-[methyl(phenethyl)amino]piperidine-1-carbonyl]-1H-quinolin-2-one; oxalic acid Traditional Name: 8-ethyl-6-[4-[methyl(phenethyl)amino]piperidine-1-carbonyl]carbostyril; oxalic acid Formula: C28H33N3O6 MolecularWeight: 507.57812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)C(=O)N3CCC(CC3)N(C)CCC4=CC=CC=C4)C=CC(=O)N2.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=C2C(=CC(=C1)C(=O)N3CCC(CC3)N(C)CCC4=CC=CC=C4)C=CC(=O)N2.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H31N3O2.C2H2O4/c1-3-20-17-22(18-21-9-10-24(30)27-25(20)21)26(31)29-15-12-23(13-16-29)28(2)14-11-19-7-5-4-6-8-19;3-1(4)2(5)6/h4-10,17-18,23H,3,11-16H2,1-2H3,(H,27,30);(H,3,4)(H,5,6)