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

Systemtic Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-1-oxidanylidene-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-1-keto-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5/c1-2-9-21-18(12-7-8-15-16(10-12)26-11-25-15)17(20(23)24)13-5-3-4-6-14(13)19(21)22/h3-8,10,17-18H,2,9,11H2,1H3,(H,23,24)/t17-,18-/m1/s1