(E)-but-2-enedioic acid; 8-methyl-5-[3-(4-quinolin-2-ylcarbonylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one

Systemtic Name: (E)-but-2-enedioic acid; 8-methyl-5-[3-(4-quinolin-2-ylcarbonylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one Openeye Name: fumaric acid; 8-methyl-5-[3-[4-(quinoline-2-carbonyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one CAS Name: (E)-2-butenedioic acid; 8-methyl-5-[3-[4-[oxo(2-quinolinyl)methyl]-1-piperazinyl]propoxy]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: (E)-but-2-enedioic acid; 8-methyl-5-[3-[4-(quinoline-2-carbonyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one Traditional Name: fumaric acid; 8-methyl-5-[3-(4-quinaldoylpiperazino)propoxy]-3,4-dihydrocarbostyril Formula: C31H34N4O7 MolecularWeight: 574.62426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OCCCN3CCN(CC3)C(=O)C4=NC5=CC=CC=C5C=C4)CCC(=O)N2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C2C(=C(C=C1)OCCCN3CCN(CC3)C(=O)C4=NC5=CC=CC=C5C=C4)CCC(=O)N2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C27H30N4O3.C4H4O4/c1-19-7-11-24(21-9-12-25(32)29-26(19)21)34-18-4-13-30-14-16-31(17-15-30)27(33)23-10-8-20-5-2-3-6-22(20)28-23;5-3(6)1-2-4(7)8/h2-3,5-8,10-11H,4,9,12-18H2,1H3,(H,29,32);1-2H,(H,5,6)(H,7,8)/b;2-1+