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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CCN3C=CC(=N3)C(=O)O

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)CCN3C=CC(=N3)C(=O)O

InChI

InChI=1S/C16H17N3O3/c1-11-10-12-4-2-3-5-14(12)19(11)15(20)7-9-18-8-6-13(17-18)16(21)22/h2-6,8,11H,7,9-10H2,1H3,(H,21,22)/t11-/m0/s1