[(2S)-1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] 3-methyl-2-oxidanyl-benzoate

Systemtic Name: [(2S)-1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] 3-methyl-2-oxidanyl-benzoate Openeye Name: [(1S)-2-(1-acetylindolin-5-yl)-1-methyl-2-oxo-ethyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid [(2S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [(1S)-2-(1-acetylindolin-5-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OC(C)C(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)O[C@@H](C)C(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C

InChI

InChI=1S/C21H21NO5/c1-12-5-4-6-17(19(12)24)21(26)27-13(2)20(25)16-7-8-18-15(11-16)9-10-22(18)14(3)23/h4-8,11,13,24H,9-10H2,1-3H3/t13-/m0/s1