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

Systemtic Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C18H15NO5 MolecularWeight: 325.3154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO5/c1-19-16(10-6-7-13-14(8-10)24-9-23-13)15(18(21)22)11-4-2-3-5-12(11)17(19)20/h2-8,15-16H,9H2,1H3,(H,21,22)/t15-,16-/m1/s1