1-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[(1S)-1-methyl-2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[(1S)-2-keto-1-methyl-2-[(2S)-2-methylindolin-1-yl]ethyl]pyrazole-4-carboxylic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C(C)N3C=C(C=N3)C(=O)O

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)[C@H](C)N3C=C(C=N3)C(=O)O

InChI

InChI=1S/C16H17N3O3/c1-10-7-12-5-3-4-6-14(12)19(10)15(20)11(2)18-9-13(8-17-18)16(21)22/h3-6,8-11H,7H2,1-2H3,(H,21,22)/t10-,11-/m0/s1