ethyl (E)-3-methyl-4-[4-[[(1R,2S)-2-oxidanylcyclohexyl]methyl]phenoxy]but-2-enoate

Systemtic Name: ethyl (E)-3-methyl-4-[4-[[(1R,2S)-2-oxidanylcyclohexyl]methyl]phenoxy]but-2-enoate Openeye Name: ethyl (E)-4-[4-[[(1R,2S)-2-hydroxycyclohexyl]methyl]phenoxy]-3-methyl-but-2-enoate CAS Name: (E)-4-[4-[[(1R,2S)-2-hydroxycyclohexyl]methyl]phenoxy]-3-methyl-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[4-[[(1R,2S)-2-hydroxycyclohexyl]methyl]phenoxy]-3-methylbut-2-enoate Traditional Name: (E)-4-[4-[[(1R,2S)-2-hydroxycyclohexyl]methyl]phenoxy]-3-methyl-but-2-enoic acid ethyl ester Formula: C20H28O4 MolecularWeight: 332.43392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)COC1=CC=C(C=C1)CC2CCCCC2O

Isomeric SMILES

CCOC(=O)/C=C(\C)/COC1=CC=C(C=C1)C[C@H]2CCCC[C@@H]2O

InChI

InChI=1S/C20H28O4/c1-3-23-20(22)12-15(2)14-24-18-10-8-16(9-11-18)13-17-6-4-5-7-19(17)21/h8-12,17,19,21H,3-7,13-14H2,1-2H3/b15-12+/t17-,19+/m1/s1