(3R)-1-[(2S)-1-(1-ethanoyl-2,3-dihydroindol-6-yl)-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylic acid

Systemtic Name: (3R)-1-[(2S)-1-(1-ethanoyl-2,3-dihydroindol-6-yl)-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylic acid Openeye Name: (3R)-1-[(1S)-2-(1-acetylindolin-6-yl)-1-methyl-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3R)-1-[(2S)-1-(1-acetyl-2,3-dihydroindol-6-yl)-1-oxopropan-2-yl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-[(2S)-1-(1-acetyl-2,3-dihydroindol-6-yl)-1-oxopropan-2-yl]piperidine-3-carboxylic acid Traditional Name: (3R)-1-[(1S)-2-(1-acetylindolin-6-yl)-2-keto-1-methyl-ethyl]nipecotic acid Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(CCN2C(=O)C)C=C1)N3CCCC(C3)C(=O)O

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(CCN2C(=O)C)C=C1)N3CCC[C@H](C3)C(=O)O

InChI

InChI=1S/C19H24N2O4/c1-12(20-8-3-4-16(11-20)19(24)25)18(23)15-6-5-14-7-9-21(13(2)22)17(14)10-15/h5-6,10,12,16H,3-4,7-9,11H2,1-2H3,(H,24,25)/t12-,16+/m0/s1