[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 1-(4-chlorophenyl)cyclopropanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclopropanecarboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclopropanecarboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)C3(CC3)C4=CC=C(C=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)C3(CC3)C4=CC=C(C=C4)Cl)OC1

InChI

InChI=1S/C21H20ClNO5/c22-15-4-2-14(3-5-15)21(8-9-21)20(25)28-13-19(24)23-16-6-7-17-18(12-16)27-11-1-10-26-17/h2-7,12H,1,8-11,13H2,(H,23,24)