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

Systemtic Name: (3S,4S)-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4S)-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4S)-2-(2-methoxyethyl)-3-(1-methyl-3-indolyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4S)-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4S)-1-keto-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3C(C4=CC=CC=C4C(=O)N3CCOC)C(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)[C@@H]3[C@H](C4=CC=CC=C4C(=O)N3CCOC)C(=O)O

InChI

InChI=1S/C22H22N2O4/c1-23-13-17(14-7-5-6-10-18(14)23)20-19(22(26)27)15-8-3-4-9-16(15)21(25)24(20)11-12-28-2/h3-10,13,19-20H,11-12H2,1-2H3,(H,26,27)/t19-,20+/m0/s1