(3S,4R)-3-(1,3-benzodioxol-5-yl)-2-butyl-6,7-dimethoxy-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-2-butyl-6,7-dimethoxy-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-2-butyl-6,7-dimethoxy-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-2-butyl-6,7-dimethoxy-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-2-butyl-6,7-dimethoxy-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-2-butyl-1-keto-6,7-dimethoxy-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C23H25NO7 MolecularWeight: 427.4471

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN1[C@@H]([C@@H](C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H25NO7/c1-4-5-8-24-21(13-6-7-16-19(9-13)31-12-30-16)20(23(26)27)14-10-17(28-2)18(29-3)11-15(14)22(24)25/h6-7,9-11,20-21H,4-5,8,12H2,1-3H3,(H,26,27)/t20-,21-/m1/s1