[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 3-(3-oxo-4-phenethyl-quinoxalin-2-yl)propanoate CAS Name: 3-(3-oxo-4-phenethyl-2-quinoxalinyl)propanoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(3-oxo-4-phenethylquinoxalin-2-yl)propanoate Traditional Name: 3-(3-keto-4-phenethyl-quinoxalin-2-yl)propionic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3N(C2=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3N(C2=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C29H29N3O4/c1-20-16-21(2)18-23(17-20)30-27(33)19-36-28(34)13-12-25-29(35)32(15-14-22-8-4-3-5-9-22)26-11-7-6-10-24(26)31-25/h3-11,16-18H,12-15,19H2,1-2H3,(H,30,33)