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

Systemtic Name: dimethyl (1S,4R,5R,7S)-5-(4-methoxyphenyl)-7-oxidanyl-cycloheptane-1,4-dicarboxylate Openeye Name: dimethyl (1R,4S,5S,7R)-5-hydroxy-7-(4-methoxyphenyl)cycloheptane-1,4-dicarboxylate CAS Name: (1R,4S,5S,7R)-5-hydroxy-7-(4-methoxyphenyl)cycloheptane-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,4S,5S,7R)-5-hydroxy-7-(4-methoxyphenyl)cycloheptane-1,4-dicarboxylate Traditional Name: (1R,4S,5S,7R)-5-hydroxy-7-(4-methoxyphenyl)cycloheptane-1,4-dicarboxylic acid dimethyl ester Formula: C18H24O6 MolecularWeight: 336.37956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(C(CCC2C(=O)OC)C(=O)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2C[C@@H]([C@H](CC[C@H]2C(=O)OC)C(=O)OC)O

InChI

InChI=1S/C18H24O6/c1-22-12-6-4-11(5-7-12)15-10-16(19)14(18(21)24-3)9-8-13(15)17(20)23-2/h4-7,13-16,19H,8-10H2,1-3H3/t13-,14+,15+,16+/m1/s1