2-[(3S,4R,5S,8S)-8-methoxy-3,5-dimethyl-8-(3-phenylmethoxyphenyl)oct-1-yn-4-yl]oxyoxane

Systemtic Name: 2-[(3S,4R,5S,8S)-8-methoxy-3,5-dimethyl-8-(3-phenylmethoxyphenyl)oct-1-yn-4-yl]oxyoxane Openeye Name: 2-[(1R,2S,5S)-5-(3-benzyloxyphenyl)-5-methoxy-2-methyl-1-[(1S)-1-methylprop-2-ynyl]pentoxy]tetrahydropyran CAS Name: 2-[(3S,4R,5S,8S)-8-methoxy-3,5-dimethyl-8-(3-phenylmethoxyphenyl)oct-1-yn-4-yl]oxyoxane IUPAC Name: 2-[(3S,4R,5S,8S)-8-methoxy-3,5-dimethyl-8-(3-phenylmethoxyphenyl)oct-1-yn-4-yl]oxyoxane Traditional Name: 2-[(1R,2S)-1-[(1S,4S)-4-(3-benzoxyphenyl)-4-methoxy-1-methyl-butyl]-2-methyl-but-3-ynoxy]tetrahydropyran Formula: C29H38O4 MolecularWeight: 450.60962

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C1=CC(=CC=C1)OCC2=CC=CC=C2)OC)C(C(C)C#C)OC3CCCCO3

Isomeric SMILES

C[C@@H](CC[C@@H](C1=CC(=CC=C1)OCC2=CC=CC=C2)OC)[C@H]([C@@H](C)C#C)OC3CCCCO3

InChI

InChI=1S/C29H38O4/c1-5-22(2)29(33-28-16-9-10-19-31-28)23(3)17-18-27(30-4)25-14-11-15-26(20-25)32-21-24-12-7-6-8-13-24/h1,6-8,11-15,20,22-23,27-29H,9-10,16-19,21H2,2-4H3/t22-,23-,27-,28?,29-/m0/s1