[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4)Cl)OC1

InChI

InChI=1S/C21H20ClNO5/c22-16-11-14(12-17-19(16)27-10-4-9-26-17)21(25)28-18(13-5-2-1-3-6-13)20(24)23-15-7-8-15/h1-3,5-6,11-12,15,18H,4,7-10H2,(H,23,24)