[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-benzamido-2,4-dimethyl-pentanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-benzamido-2,4-dimethyl-pentanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2S)-2-benzamido-2,4-dimethyl-pentanoate CAS Name: (2S)-2-benzamido-2,4-dimethylpentanoic 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] (2S)-2-benzamido-2,4-dimethylpentanoate Traditional Name: (2S)-2-benzamido-2,4-dimethyl-valeric acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C30H41NO3 MolecularWeight: 463.65144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H41NO3/c1-21(2)20-30(6,31-27(32)23-13-9-7-10-14-23)28(33)34-26-19-22(3)17-18-25(26)29(4,5)24-15-11-8-12-16-24/h7-16,21-22,25-26H,17-20H2,1-6H3,(H,31,32)/t22-,25-,26-,30+/m1/s1