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

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [2-[2-(o-tolyl)ethylamino]-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-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-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-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)COC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)COC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H23NO5/c1-15-5-2-3-6-16(15)9-10-22-20(23)14-27-21(24)17-7-8-18-19(13-17)26-12-4-11-25-18/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,22,23)