methyl (1R,4R,5S)-4-methyl-4-[(1S)-1-oxidanyl-4-phenylmethoxy-butyl]-5-(phenylmethoxymethyl)cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl (1R,4R,5S)-4-methyl-4-[(1S)-1-oxidanyl-4-phenylmethoxy-butyl]-5-(phenylmethoxymethyl)cyclohex-2-ene-1-carboxylate Openeye Name: methyl (1R,4R,5S)-4-[(1S)-4-benzyloxy-1-hydroxy-butyl]-5-(benzyloxymethyl)-4-methyl-cyclohex-2-ene-1-carboxylate CAS Name: (1R,4R,5S)-4-[(1S)-1-hydroxy-4-phenylmethoxybutyl]-4-methyl-5-(phenylmethoxymethyl)-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,4R,5S)-4-[(1S)-1-hydroxy-4-phenylmethoxybutyl]-4-methyl-5-(phenylmethoxymethyl)cyclohex-2-ene-1-carboxylate Traditional Name: (1R,4R,5S)-4-[(1S)-4-benzoxy-1-hydroxy-butyl]-5-(benzoxymethyl)-4-methyl-cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C28H36O5 MolecularWeight: 452.58244

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(CC1COCC2=CC=CC=C2)C(=O)OC)C(CCCOCC3=CC=CC=C3)O

Isomeric SMILES

C[C@]1(C=C[C@@H](C[C@@H]1COCC2=CC=CC=C2)C(=O)OC)[C@H](CCCOCC3=CC=CC=C3)O

InChI

InChI=1S/C28H36O5/c1-28(26(29)14-9-17-32-19-22-10-5-3-6-11-22)16-15-24(27(30)31-2)18-25(28)21-33-20-23-12-7-4-8-13-23/h3-8,10-13,15-16,24-26,29H,9,14,17-21H2,1-2H3/t24-,25+,26-,28+/m0/s1