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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-benzamido-2-methyl-pent-4-ynoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2S)-2-benzamido-2-methyl-pent-4-ynoate CAS Name: (2S)-2-benzamido-2-methyl-4-pentynoic 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-methylpent-4-ynoate Traditional Name: (2S)-2-benzamido-2-methyl-pent-4-ynoic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C29H35NO3 MolecularWeight: 445.5931

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H35NO3/c1-6-19-29(5,30-26(31)22-13-9-7-10-14-22)27(32)33-25-20-21(2)17-18-24(25)28(3,4)23-15-11-8-12-16-23/h1,7-16,21,24-25H,17-20H2,2-5H3,(H,30,31)/t21-,24-,25-,29+/m1/s1