[(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (E,2S)-4-phenyl-2-(phenylcarbonyl)but-3-enoate

Systemtic Name: [(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (E,2S)-4-phenyl-2-(phenylcarbonyl)but-3-enoate Openeye Name: [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] (E,2S)-2-benzoyl-4-phenyl-but-3-enoate CAS Name: (E,2S)-2-benzoyl-4-phenyl-3-butenoic acid [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (E,2S)-2-benzoyl-4-phenylbut-3-enoate Traditional Name: (E,2S)-2-benzoyl-4-phenyl-but-3-enoic acid [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C27H32O3 MolecularWeight: 404.54118

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C=CC2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H](/C=C/C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C27H32O3/c1-19(2)23-16-14-20(3)18-25(23)30-27(29)24(17-15-21-10-6-4-7-11-21)26(28)22-12-8-5-9-13-22/h4-13,15,17,19-20,23-25H,14,16,18H2,1-3H3/b17-15+/t20-,23-,24-,25+/m0/s1