(3,3-dimethyl-2-oxidanylidene-butyl) 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(3-oxo-4-phenethyl-quinoxalin-2-yl)propanoate CAS Name: 3-(3-oxo-4-phenethyl-2-quinoxalinyl)propanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(3-oxo-4-phenethylquinoxalin-2-yl)propanoate Traditional Name: 3-(3-keto-4-phenethyl-quinoxalin-2-yl)propionic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CCC1=NC2=CC=CC=C2N(C1=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CCC1=NC2=CC=CC=C2N(C1=O)CCC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O4/c1-25(2,3)22(28)17-31-23(29)14-13-20-24(30)27(16-15-18-9-5-4-6-10-18)21-12-8-7-11-19(21)26-20/h4-12H,13-17H2,1-3H3