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

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCCCO3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCCCO3)OC

InChI

InChI=1S/C20H21NO7/c1-24-15-9-14(10-16(11-15)25-2)21-19(22)12-28-20(23)13-4-5-17-18(8-13)27-7-3-6-26-17/h4-5,8-11H,3,6-7,12H2,1-2H3,(H,21,22)