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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3C(C4=CC=CC=C4C(=O)N3C)C(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)[C@@H]3[C@H](C4=CC=CC=C4C(=O)N3C)C(=O)O

InChI

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