[1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-phenylanilino)ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [1-oxo-1-(2-phenylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2-phenylanilino)propan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-keto-1-methyl-2-(2-phenylanilino)ethyl] ester Formula: C25H23NO5 MolecularWeight: 417.45382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H23NO5/c1-17(31-25(28)19-12-13-22-23(16-19)30-15-7-14-29-22)24(27)26-21-11-6-5-10-20(21)18-8-3-2-4-9-18/h2-6,8-13,16-17H,7,14-15H2,1H3,(H,26,27)