[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3R)-3-[(4-cyanophenyl)amino]-3-phenyl-propanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3R)-3-[(4-cyanophenyl)amino]-3-phenyl-propanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (3R)-3-(4-cyanoanilino)-3-phenyl-propanoate CAS Name: (3R)-3-(4-cyanoanilino)-3-phenylpropanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (3R)-3-(4-cyanoanilino)-3-phenylpropanoate Traditional Name: (3R)-3-(4-cyanoanilino)-3-phenyl-propionic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C26H32N2O2 MolecularWeight: 404.54448

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC(C2=CC=CC=C2)NC3=CC=C(C=C3)C#N)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[C@H](C2=CC=CC=C2)NC3=CC=C(C=C3)C#N)C(C)C

InChI

InChI=1S/C26H32N2O2/c1-18(2)23-14-9-19(3)15-25(23)30-26(29)16-24(21-7-5-4-6-8-21)28-22-12-10-20(17-27)11-13-22/h4-8,10-13,18-19,23-25,28H,9,14-16H2,1-3H3/t19-,23+,24-,25-/m1/s1