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

Systemtic Name: (3S,4S)-3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4S)-3-(1H-indol-3-yl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4S)-3-(1H-indol-3-yl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4S)-3-(1H-indol-3-yl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4S)-3-(1H-indol-3-yl)-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C19H16N2O3 MolecularWeight: 320.34194

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CN1[C@@H]([C@H](C2=CC=CC=C2C1=O)C(=O)O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C19H16N2O3/c1-21-17(14-10-20-15-9-5-4-6-11(14)15)16(19(23)24)12-7-2-3-8-13(12)18(21)22/h2-10,16-17,20H,1H3,(H,23,24)/t16-,17+/m0/s1