[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (Z)-2-acetamido-4-phenylmethoxy-but-2-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (Z)-2-acetamido-4-phenylmethoxy-but-2-enoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (Z)-2-acetamido-4-benzyloxy-but-2-enoate CAS Name: (Z)-2-acetamido-4-phenylmethoxy-2-butenoic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (Z)-2-acetamido-4-phenylmethoxybut-2-enoate Traditional Name: (Z)-2-acetamido-4-benzoxy-but-2-enoic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C29H37NO4 MolecularWeight: 463.60838

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(=CCOCC2=CC=CC=C2)NC(=O)C)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)/C(=C/COCC2=CC=CC=C2)/NC(=O)C)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C29H37NO4/c1-21-15-16-25(29(3,4)24-13-9-6-10-14-24)27(19-21)34-28(32)26(30-22(2)31)17-18-33-20-23-11-7-5-8-12-23/h5-14,17,21,25,27H,15-16,18-20H2,1-4H3,(H,30,31)/b26-17-/t21-,25-,27-/m1/s1