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

Systemtic Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxidanylidene-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-1-keto-6,7-dimethoxy-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C22H23NO7 MolecularWeight: 413.42052

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCN1[C@@H]([C@@H](C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23NO7/c1-4-7-23-20(12-5-6-15-18(8-12)30-11-29-15)19(22(25)26)13-9-16(27-2)17(28-3)10-14(13)21(23)24/h5-6,8-10,19-20H,4,7,11H2,1-3H3,(H,25,26)/t19-,20-/m1/s1