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

Systemtic Name: 5-[(2-methoxycarbonyl-4-oxidanylidene-cyclohexyl)methyl]-2,2-dimethyl-4-(phenylmethyl)-1,3-oxazolidine-3-carboxylic acid Openeye Name: 4-benzyl-5-[(2-methoxycarbonyl-4-oxo-cyclohexyl)methyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid CAS Name: 5-[(2-methoxycarbonyl-4-oxocyclohexyl)methyl]-2,2-dimethyl-4-(phenylmethyl)-3-oxazolidinecarboxylic acid IUPAC Name: 4-benzyl-5-[(2-methoxycarbonyl-4-oxocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid Traditional Name: 4-benzyl-5-[(2-carbomethoxy-4-keto-cyclohexyl)methyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO6/c1-22(2)23(21(26)27)18(11-14-7-5-4-6-8-14)19(29-22)12-15-9-10-16(24)13-17(15)20(25)28-3/h4-8,15,17-19H,9-13H2,1-3H3,(H,26,27)