5-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)methyl]-2-methoxy-benzoic acid Openeye Name: 5-[(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)methyl]-2-methoxybenzoic acid Traditional Name: 5-[(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonylamino)methyl]-2-methoxy-benzoic acid Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO6/c1-24-15-5-3-12(9-14(15)19(22)23)11-20-18(21)13-4-6-16-17(10-13)26-8-2-7-25-16/h3-6,9-10H,2,7-8,11H2,1H3,(H,20,21)(H,22,23)