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

Systemtic Name: (3S,4S)-2-ethyl-3-(1-methylindol-3-yl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4S)-2-ethyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4S)-2-ethyl-3-(1-methyl-3-indolyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4S)-2-ethyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4S)-2-ethyl-1-keto-3-(1-methylindol-3-yl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CCN1[C@@H]([C@H](C2=CC=CC=C2C1=O)C(=O)O)C3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C21H20N2O3/c1-3-23-19(16-12-22(2)17-11-7-6-8-13(16)17)18(21(25)26)14-9-4-5-10-15(14)20(23)24/h4-12,18-19H,3H2,1-2H3,(H,25,26)/t18-,19+/m0/s1