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

Systemtic Name: methyl (3S,4S)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: methyl (3S,4S)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3S,4S)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3S,4S)-3-(1,3-benzodioxol-5-yl)-1-keto-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid methyl ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO7/c1-22-19(11-5-6-14-17(7-11)29-10-28-14)18(21(24)27-4)12-8-15(25-2)16(26-3)9-13(12)20(22)23/h5-9,18-19H,10H2,1-4H3/t18-,19+/m0/s1