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

Systemtic Name: (3S,4S)-2-ethyl-3-(1H-indol-3-yl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4S)-2-ethyl-3-(1H-indol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4S)-2-ethyl-3-(1H-indol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4S)-2-ethyl-3-(1H-indol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4S)-2-ethyl-3-(1H-indol-3-yl)-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CCN1[C@@H]([C@H](C2=CC=CC=C2C1=O)C(=O)O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H18N2O3/c1-2-22-18(15-11-21-16-10-6-5-7-12(15)16)17(20(24)25)13-8-3-4-9-14(13)19(22)23/h3-11,17-18,21H,2H2,1H3,(H,24,25)/t17-,18+/m0/s1