5-[(2-carboxy-4-oxidanylidene-cyclohexyl)methyl]-2,2-dimethyl-4-(phenylmethyl)-1,3-oxazolidine-3-carboxylic acid

Systemtic Name: 5-[(2-carboxy-4-oxidanylidene-cyclohexyl)methyl]-2,2-dimethyl-4-(phenylmethyl)-1,3-oxazolidine-3-carboxylic acid Openeye Name: 4-benzyl-5-[(2-carboxy-4-oxo-cyclohexyl)methyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid CAS Name: 5-[(2-carboxy-4-oxocyclohexyl)methyl]-2,2-dimethyl-4-(phenylmethyl)-3-oxazolidinecarboxylic acid IUPAC Name: 4-benzyl-5-[(2-carboxy-4-oxocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid Traditional Name: 4-benzyl-5-[(2-carboxy-4-keto-cyclohexyl)methyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid Formula: C21H27NO6 MolecularWeight: 389.44218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(N(C(C(O1)CC2CCC(=O)CC2C(=O)O)CC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1(N(C(C(O1)CC2CCC(=O)CC2C(=O)O)CC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C21H27NO6/c1-21(2)22(20(26)27)17(10-13-6-4-3-5-7-13)18(28-21)11-14-8-9-15(23)12-16(14)19(24)25/h3-7,14,16-18H,8-12H2,1-2H3,(H,24,25)(H,26,27)