dimethyl (1R,4S,5S,7R)-5-oxidanyl-7-phenyl-cycloheptane-1,4-dicarboxylate

Systemtic Name: dimethyl (1R,4S,5S,7R)-5-oxidanyl-7-phenyl-cycloheptane-1,4-dicarboxylate Openeye Name: dimethyl (1R,4S,5S,7R)-5-hydroxy-7-phenyl-cycloheptane-1,4-dicarboxylate CAS Name: (1R,4S,5S,7R)-5-hydroxy-7-phenylcycloheptane-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,4S,5S,7R)-5-hydroxy-7-phenylcycloheptane-1,4-dicarboxylate Traditional Name: (1R,4S,5S,7R)-5-hydroxy-7-phenyl-cycloheptane-1,4-dicarboxylic acid dimethyl ester Formula: C17H22O5 MolecularWeight: 306.35358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(C(CC1C2=CC=CC=C2)O)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H22O5/c1-21-16(19)12-8-9-13(17(20)22-2)15(18)10-14(12)11-6-4-3-5-7-11/h3-7,12-15,18H,8-10H2,1-2H3/t12-,13+,14+,15+/m1/s1