[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-propan-2-yliminoethanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-propan-2-yliminoethanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-isopropyliminoacetate CAS Name: 2-propan-2-yliminoacetic 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] 2-propan-2-yliminoacetate Traditional Name: 2-isopropyliminoacetic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C21H31NO2 MolecularWeight: 329.47634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO2/c1-15(2)22-14-20(23)24-19-13-16(3)11-12-18(19)21(4,5)17-9-7-6-8-10-17/h6-10,14-16,18-19H,11-13H2,1-5H3/t16-,18-,19-/m1/s1