5-[2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]-1-oxidanyl-ethyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]-1-oxidanyl-ethyl]-2-methoxy-benzoic acid Openeye Name: 5-[2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]-1-hydroxy-ethyl]-2-methoxy-benzoic acid CAS Name: 5-[2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]-1-hydroxyethyl]-2-methoxybenzoic acid IUPAC Name: 5-[2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]-1-hydroxyethyl]-2-methoxybenzoic acid Traditional Name: 5-[2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]-1-hydroxy-ethyl]-2-methoxy-benzoic acid Formula: C19H20ClNO6 MolecularWeight: 393.8182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CNCC2COC3=C(O2)C=CC=C3Cl)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(CNCC2COC3=C(O2)C=CC=C3Cl)O)C(=O)O

InChI

InChI=1S/C19H20ClNO6/c1-25-16-6-5-11(7-13(16)19(23)24)15(22)9-21-8-12-10-26-18-14(20)3-2-4-17(18)27-12/h2-7,12,15,21-22H,8-10H2,1H3,(H,23,24)