methyl (E)-4-[2,2-dimethyl-3-(2-phenylmethoxyethyl)cyclohexyl]but-3-enoate

Systemtic Name: methyl (E)-4-[2,2-dimethyl-3-(2-phenylmethoxyethyl)cyclohexyl]but-3-enoate Openeye Name: methyl (E)-4-[3-(2-benzyloxyethyl)-2,2-dimethyl-cyclohexyl]but-3-enoate CAS Name: (E)-4-[2,2-dimethyl-3-(2-phenylmethoxyethyl)cyclohexyl]-3-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[2,2-dimethyl-3-(2-phenylmethoxyethyl)cyclohexyl]but-3-enoate Traditional Name: (E)-4-[3-(2-benzoxyethyl)-2,2-dimethyl-cyclohexyl]but-3-enoic acid methyl ester Formula: C22H32O3 MolecularWeight: 344.48768

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCCC1C=CCC(=O)OC)CCOCC2=CC=CC=C2)C

Isomeric SMILES

CC1(C(CCCC1/C=C/CC(=O)OC)CCOCC2=CC=CC=C2)C

InChI

InChI=1S/C22H32O3/c1-22(2)19(13-8-14-21(23)24-3)11-7-12-20(22)15-16-25-17-18-9-5-4-6-10-18/h4-6,8-10,13,19-20H,7,11-12,14-17H2,1-3H3/b13-8+