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

Systemtic Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-2-ethyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-2-ethyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-2-ethyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-2-ethyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-2-ethyl-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C19H17NO5 MolecularWeight: 339.34198

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1[C@@H]([C@@H](C2=CC=CC=C2C1=O)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H17NO5/c1-2-20-17(11-7-8-14-15(9-11)25-10-24-14)16(19(22)23)12-5-3-4-6-13(12)18(20)21/h3-9,16-17H,2,10H2,1H3,(H,22,23)/t16-,17-/m1/s1