[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate

Systemtic Name: [2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate Openeye Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl] 4-oxo-4-(4-pentylphenyl)butanoate CAS Name: 4-oxo-4-(4-pentylphenyl)butanoic acid [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate Traditional Name: 4-(4-amylphenyl)-4-keto-butyric acid [2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl] ester Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C

InChI

InChI=1S/C27H32N2O5/c1-4-5-6-9-19-12-14-20(15-13-19)23(30)16-17-25(32)34-18-24(31)29-22-11-8-7-10-21(22)28-26(33)27(29,2)3/h7-8,10-15H,4-6,9,16-18H2,1-3H3,(H,28,33)