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

Systemtic Name: 1-[(2R,4R)-2,4-dimethyl-5-oxidanyl-5-oxidanylidene-pentanoyl]-5-methoxy-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-[(2R,4R)-5-hydroxy-2,4-dimethyl-5-oxo-pentanoyl]-5-methoxy-indoline-2-carboxylic acid CAS Name: 1-[(2R,4R)-5-hydroxy-2,4-dimethyl-1,5-dioxopentyl]-5-methoxy-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 1-[(2R,4R)-5-hydroxy-2,4-dimethyl-5-oxopentanoyl]-5-methoxy-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-[(2R,4R)-5-hydroxy-5-keto-2,4-dimethyl-pentanoyl]-5-methoxy-indoline-2-carboxylic acid Formula: C17H21NO6 MolecularWeight: 335.35174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)C(=O)O)C(=O)N1C(CC2=C1C=CC(=C2)OC)C(=O)O

Isomeric SMILES

C[C@H](C[C@@H](C)C(=O)O)C(=O)N1C(CC2=C1C=CC(=C2)OC)C(=O)O

InChI

InChI=1S/C17H21NO6/c1-9(6-10(2)16(20)21)15(19)18-13-5-4-12(24-3)7-11(13)8-14(18)17(22)23/h4-5,7,9-10,14H,6,8H2,1-3H3,(H,20,21)(H,22,23)/t9-,10-,14?/m1/s1