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

Systemtic Name: (3S,4S)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4S)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4S)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4S)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4S)-3-(1,3-benzodioxol-5-yl)-1-keto-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C20H19NO7 MolecularWeight: 385.36736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1[C@@H]([C@H](C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19NO7/c1-21-18(10-4-5-13-16(6-10)28-9-27-13)17(20(23)24)11-7-14(25-2)15(26-3)8-12(11)19(21)22/h4-8,17-18H,9H2,1-3H3,(H,23,24)/t17-,18+/m0/s1