[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [2-(3-acetylanilino)-2-oxo-1-phenyl-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-(3-acetylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-acetylanilino)-2-oxo-1-phenylethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-(3-acetylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C26H23NO6 MolecularWeight: 445.46392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C26H23NO6/c1-17(28)19-9-5-10-21(15-19)27-25(29)24(18-7-3-2-4-8-18)33-26(30)20-11-12-22-23(16-20)32-14-6-13-31-22/h2-5,7-12,15-16,24H,6,13-14H2,1H3,(H,27,29)