5-[[2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-oxoethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]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)CC2=CC3=C(C(=C2)Cl)OCCO3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CC2=CC3=C(C(=C2)Cl)OCCO3)C(=O)O

InChI

InChI=1S/C19H18ClNO6/c1-25-15-3-2-11(6-13(15)19(23)24)10-21-17(22)9-12-7-14(20)18-16(8-12)26-4-5-27-18/h2-3,6-8H,4-5,9-10H2,1H3,(H,21,22)(H,23,24)