[(1R,2S)-2-phenylcyclohexyl] 3-[2-methoxy-3-(phenylmethoxymethyl)pyridin-4-yl]-3-oxidanyl-pentanoate

Systemtic Name: [(1R,2S)-2-phenylcyclohexyl] 3-[2-methoxy-3-(phenylmethoxymethyl)pyridin-4-yl]-3-oxidanyl-pentanoate Openeye Name: [(1R,2S)-2-phenylcyclohexyl] 3-[3-(benzyloxymethyl)-2-methoxy-4-pyridyl]-3-hydroxy-pentanoate CAS Name: 3-hydroxy-3-[2-methoxy-3-(phenylmethoxymethyl)-4-pyridinyl]pentanoic acid [(1R,2S)-2-phenylcyclohexyl] ester IUPAC Name: [(1R,2S)-2-phenylcyclohexyl] 3-hydroxy-3-[2-methoxy-3-(phenylmethoxymethyl)pyridin-4-yl]pentanoate Traditional Name: 3-[3-(benzoxymethyl)-2-methoxy-4-pyridyl]-3-hydroxy-valeric acid [(1R,2S)-2-phenylcyclohexyl] ester Formula: C31H37NO5 MolecularWeight: 503.62918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)OC1CCCCC1C2=CC=CC=C2)(C3=C(C(=NC=C3)OC)COCC4=CC=CC=C4)O

Isomeric SMILES

CCC(CC(=O)O[C@@H]1CCCC[C@H]1C2=CC=CC=C2)(C3=C(C(=NC=C3)OC)COCC4=CC=CC=C4)O

InChI

InChI=1S/C31H37NO5/c1-3-31(34,20-29(33)37-28-17-11-10-16-25(28)24-14-8-5-9-15-24)27-18-19-32-30(35-2)26(27)22-36-21-23-12-6-4-7-13-23/h4-9,12-15,18-19,25,28,34H,3,10-11,16-17,20-22H2,1-2H3/t25-,28+,31?/m0/s1