1-[3,3-dimethyl-4-oxidanylidene-2-(pyridin-2-ylamino)butanoyl]-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: 1-[3,3-dimethyl-4-oxidanylidene-2-(pyridin-2-ylamino)butanoyl]-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-[3,3-dimethyl-4-oxo-2-(2-pyridylamino)butanoyl]indoline-2-carboxylic acid CAS Name: 1-[3,3-dimethyl-1,4-dioxo-2-(2-pyridinylamino)butyl]-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 1-[3,3-dimethyl-4-oxo-2-(pyridin-2-ylamino)butanoyl]-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-[4-keto-3,3-dimethyl-2-(2-pyridylamino)butanoyl]indoline-2-carboxylic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=O)C(C(=O)N1C(CC2=CC=CC=C21)C(=O)O)NC3=CC=CC=N3

Isomeric SMILES

CC(C)(C=O)C(C(=O)N1C(CC2=CC=CC=C21)C(=O)O)NC3=CC=CC=N3

InChI

InChI=1S/C20H21N3O4/c1-20(2,12-24)17(22-16-9-5-6-10-21-16)18(25)23-14-8-4-3-7-13(14)11-15(23)19(26)27/h3-10,12,15,17H,11H2,1-2H3,(H,21,22)(H,26,27)