[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate CAS Name: 3-phenyl-2,1-benzoxazole-5-carboxylic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate Traditional Name: 3-phenylanthranil-5-carboxylic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C24H20N2O4 MolecularWeight: 400.4266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)C

InChI

InChI=1S/C24H20N2O4/c1-15-10-16(2)12-19(11-15)25-22(27)14-29-24(28)18-8-9-21-20(13-18)23(30-26-21)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,25,27)