1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4,4a,8a-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4,4a,8a-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4,4a,8a-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4,4a,8a-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4,4a,8a-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4,4a,8a-tetrahydroisoquinoline-3-carboxylic acid Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2CC(N=C(C2C=C1OC)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

COC1=CC2CC(N=C(C2C=C1OC)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

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