(3S,4S)-3-(furan-2-yl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4S)-3-(furan-2-yl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4S)-3-(2-furyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4S)-3-(2-furanyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4S)-3-(furan-2-yl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4S)-3-(2-furyl)-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C15H13NO4 MolecularWeight: 271.26802

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC=CO3

Isomeric SMILES

CN1[C@@H]([C@H](C2=CC=CC=C2C1=O)C(=O)O)C3=CC=CO3

InChI

InChI=1S/C15H13NO4/c1-16-13(11-7-4-8-20-11)12(15(18)19)9-5-2-3-6-10(9)14(16)17/h2-8,12-13H,1H3,(H,18,19)/t12-,13+/m0/s1