[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate Openeye Name: 1-[(2,5-dimethylphenyl)carbamoyl]propyl 2,3-diphenylquinoxaline-6-carboxylate CAS Name: 2,3-diphenyl-6-quinoxalinecarboxylic acid [1-(2,5-dimethylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxobutan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate Traditional Name: 2,3-diphenylquinoxaline-6-carboxylic acid 1-[(2,5-dimethylphenyl)carbamoyl]propyl ester Formula: C33H29N3O3 MolecularWeight: 515.60166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C)C)OC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C)C)OC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H29N3O3/c1-4-29(32(37)36-27-19-21(2)15-16-22(27)3)39-33(38)25-17-18-26-28(20-25)35-31(24-13-9-6-10-14-24)30(34-26)23-11-7-5-8-12-23/h5-20,29H,4H2,1-3H3,(H,36,37)