[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 3,5-dimethylbenzoate

Systemtic Name: [(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 3,5-dimethylbenzoate Openeye Name: [(1S)-2-indan-5-yl-1-methyl-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [(1S)-2-indan-5-yl-2-keto-1-methyl-ethyl] ester Formula: C21H22O3 MolecularWeight: 322.39758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OC(C)C(=O)C2=CC3=C(CCC3)C=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)O[C@@H](C)C(=O)C2=CC3=C(CCC3)C=C2)C

InChI

InChI=1S/C21H22O3/c1-13-9-14(2)11-19(10-13)21(23)24-15(3)20(22)18-8-7-16-5-4-6-17(16)12-18/h7-12,15H,4-6H2,1-3H3/t15-/m0/s1