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

Systemtic Name: [2-[1-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [2-[1-(3-chlorophenyl)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-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-chlorophenyl)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-[1-(3-chlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C20H20ClNO5 MolecularWeight: 389.8295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO5/c1-13(14-4-2-5-16(21)10-14)22-19(23)12-27-20(24)15-6-7-17-18(11-15)26-9-3-8-25-17/h2,4-7,10-11,13H,3,8-9,12H2,1H3,(H,22,23)