methyl 4-[[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C19H18ClNO5 MolecularWeight: 375.80292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClNO5/c1-24-19(23)13-5-3-12(4-6-13)11-21-18(22)14-9-15(20)17-16(10-14)25-7-2-8-26-17/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,22)