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

Systemtic Name: 5-[[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carbonyl)amino]methyl]-2-methoxy-benzoic acid Formula: C19H18ClNO6 MolecularWeight: 391.80232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)C(=O)O

InChI

InChI=1S/C19H18ClNO6/c1-25-15-4-3-11(7-13(15)19(23)24)10-21-18(22)12-8-14(20)17-16(9-12)26-5-2-6-27-17/h3-4,7-9H,2,5-6,10H2,1H3,(H,21,22)(H,23,24)