O5-methyl O3-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 4,5-dihydro-1,2-oxazole-3,5-dicarboxylate

Systemtic Name: O5-methyl O3-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 4,5-dihydro-1,2-oxazole-3,5-dicarboxylate Openeye Name: O3-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] O5-methyl 4,5-dihydroisoxazole-3,5-dicarboxylate CAS Name: 4,5-dihydroisoxazole-3,5-dicarboxylic acid O5-methyl ester O3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: 5-O-methyl 3-O-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4,5-dihydro-1,2-oxazole-3,5-dicarboxylate Traditional Name: 2-isoxazoline-3,5-dicarboxylic acid O3-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester O5-methyl ester Formula: C16H25NO5 MolecularWeight: 311.3734

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=NOC(C2)C(=O)OC)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=NOC(C2)C(=O)OC)C(C)C

InChI

InChI=1S/C16H25NO5/c1-9(2)11-6-5-10(3)7-13(11)21-15(18)12-8-14(22-17-12)16(19)20-4/h9-11,13-14H,5-8H2,1-4H3/t10-,11+,13-,14?/m1/s1