[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-phenyl-propanoate

Systemtic Name: [2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-phenyl-propanoate Openeye Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl] (2S)-2-benzamido-3-phenyl-propanoate CAS Name: (2S)-2-benzamido-3-phenylpropanoic 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] (2S)-2-benzamido-3-phenylpropanoate Traditional Name: (2S)-2-benzamido-3-phenyl-propionic acid [2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl] ester Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C28H27N3O5/c1-28(2)27(35)30-21-15-9-10-16-23(21)31(28)24(32)18-36-26(34)22(17-19-11-5-3-6-12-19)29-25(33)20-13-7-4-8-14-20/h3-16,22H,17-18H2,1-2H3,(H,29,33)(H,30,35)/t22-/m0/s1