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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C19H18ClNO5/c1-24-19(23)13-4-2-5-14(11-13)21-17(22)10-12-8-15(20)18-16(9-12)25-6-3-7-26-18/h2,4-5,8-9,11H,3,6-7,10H2,1H3,(H,21,22)