methyl 7-[(1R,2S,3R,5R)-5-chloranyl-3-oxidanyl-2-[2-(1-oxidanylcyclohexyl)ethynyl]cyclopentyl]heptanoate

Systemtic Name: methyl 7-[(1R,2S,3R,5R)-5-chloranyl-3-oxidanyl-2-[2-(1-oxidanylcyclohexyl)ethynyl]cyclopentyl]heptanoate Openeye Name: methyl 7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[2-(1-hydroxycyclohexyl)ethynyl]cyclopentyl]heptanoate CAS Name: 7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[2-(1-hydroxycyclohexyl)ethynyl]cyclopentyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[2-(1-hydroxycyclohexyl)ethynyl]cyclopentyl]heptanoate Traditional Name: 7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[2-(1-hydroxycyclohexyl)ethynyl]cyclopentyl]enanthic acid methyl ester Formula: C21H33ClO4 MolecularWeight: 384.93732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCC1C(CC(C1C#CC2(CCCCC2)O)O)Cl

Isomeric SMILES

COC(=O)CCCCCC[C@H]1[C@@H](C[C@H]([C@@H]1C#CC2(CCCCC2)O)O)Cl

InChI

InChI=1S/C21H33ClO4/c1-26-20(24)10-6-3-2-5-9-16-17(19(23)15-18(16)22)11-14-21(25)12-7-4-8-13-21/h16-19,23,25H,2-10,12-13,15H2,1H3/t16-,17-,18-,19-/m1/s1