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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetate CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetate Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H22ClNO5 MolecularWeight: 415.86678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClNO5/c23-17-11-14(12-18-21(17)28-10-4-9-27-18)13-19(25)29-20(15-5-2-1-3-6-15)22(26)24-16-7-8-16/h1-3,5-6,11-12,16,20H,4,7-10,13H2,(H,24,26)