[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (2R)-2-benzamido-3-phenyl-propanoate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (2R)-2-benzamido-3-phenyl-propanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] (2R)-2-benzamido-3-phenyl-propanoate CAS Name: (2R)-2-benzamido-3-phenylpropanoic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-benzamido-3-phenylpropanoate Traditional Name: (2R)-2-benzamido-3-phenyl-propionic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C26H33NO3 MolecularWeight: 407.54512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C26H33NO3/c1-18(2)22-15-14-19(3)16-24(22)30-26(29)23(17-20-10-6-4-7-11-20)27-25(28)21-12-8-5-9-13-21/h4-13,18-19,22-24H,14-17H2,1-3H3,(H,27,28)/t19-,22+,23+,24-/m0/s1