(1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxycarbonyl-2,3-dihydroindene-1-carboxylic acid

Systemtic Name: (1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxycarbonyl-2,3-dihydroindene-1-carboxylic acid Openeye Name: (1S)-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]carbonylindane-1-carboxylic acid CAS Name: (1S)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxomethyl]-2,3-dihydroindene-1-carboxylic acid IUPAC Name: (1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonyl-2,3-dihydroindene-1-carboxylic acid Traditional Name: (1S)-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]carbonylindane-1-carboxylic acid Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2(CCC3=CC=CC=C32)C(=O)O)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@]2(CCC3=CC=CC=C32)C(=O)O)C(C)C

InChI

InChI=1S/C21H28O4/c1-13(2)16-9-8-14(3)12-18(16)25-20(24)21(19(22)23)11-10-15-6-4-5-7-17(15)21/h4-7,13-14,16,18H,8-12H2,1-3H3,(H,22,23)/t14-,16+,18-,21+/m1/s1