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

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-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-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6/c1-24-16-5-2-4-14(10-16)12-21-19(22)13-27-20(23)15-6-7-17-18(11-15)26-9-3-8-25-17/h2,4-7,10-11H,3,8-9,12-13H2,1H3,(H,21,22)