methyl 4-cyano-4-[4-methoxy-3-[(1R,3R)-3-oxidanylcyclopentyl]oxy-phenyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-cyano-4-[4-methoxy-3-[(1R,3R)-3-oxidanylcyclopentyl]oxy-phenyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-cyano-4-[3-[(1R,3R)-3-hydroxycyclopentoxy]-4-methoxy-phenyl]cyclohexanecarboxylate CAS Name: 4-cyano-4-[3-[(1R,3R)-3-hydroxycyclopentyl]oxy-4-methoxyphenyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-4-[3-[(1R,3R)-3-hydroxycyclopentyl]oxy-4-methoxyphenyl]cyclohexane-1-carboxylate Traditional Name: 4-cyano-4-[3-[(1R,3R)-3-hydroxycyclopentoxy]-4-methoxy-phenyl]cyclohexanecarboxylic acid methyl ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)OC)C#N)OC3CCC(C3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)OC)C#N)O[C@@H]3CC[C@H](C3)O

InChI

InChI=1S/C21H27NO5/c1-25-18-6-3-15(11-19(18)27-17-5-4-16(23)12-17)21(13-22)9-7-14(8-10-21)20(24)26-2/h3,6,11,14,16-17,23H,4-5,7-10,12H2,1-2H3/t14?,16-,17-,21?/m1/s1