1-[(2R,4R)-2,4-dimethyl-5-oxidanyl-5-oxidanylidene-pentanoyl]-5-methyl-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: 1-[(2R,4R)-2,4-dimethyl-5-oxidanyl-5-oxidanylidene-pentanoyl]-5-methyl-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-[(2R,4R)-5-hydroxy-2,4-dimethyl-5-oxo-pentanoyl]-5-methyl-indoline-2-carboxylic acid CAS Name: 1-[(2R,4R)-5-hydroxy-2,4-dimethyl-1,5-dioxopentyl]-5-methyl-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 1-[(2R,4R)-5-hydroxy-2,4-dimethyl-5-oxopentanoyl]-5-methyl-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-[(2R,4R)-5-hydroxy-5-keto-2,4-dimethyl-pentanoyl]-5-methyl-indoline-2-carboxylic acid Formula: C17H21NO5 MolecularWeight: 319.35234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(C2)C(=O)O)C(=O)C(C)CC(C)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(C2)C(=O)O)C(=O)[C@H](C)C[C@@H](C)C(=O)O

InChI

InChI=1S/C17H21NO5/c1-9-4-5-13-12(6-9)8-14(17(22)23)18(13)15(19)10(2)7-11(3)16(20)21/h4-6,10-11,14H,7-8H2,1-3H3,(H,20,21)(H,22,23)/t10-,11-,14?/m1/s1