[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(phenylcarbonylamino)ethanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(phenylcarbonylamino)ethanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-(benzoylamino)acetate CAS Name: 2-(benzoylamino)acetic 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-(benzoylamino)acetate Traditional Name: 2-(benzoylamino)acetic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C25H31NO3 MolecularWeight: 394.511949

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CNC(=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[15NH]C(=O)C2=CC=CC=C2)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C25H31NO3/c1-18-14-15-21(25(2,3)20-12-8-5-9-13-20)22(16-18)29-23(27)17-26-24(28)19-10-6-4-7-11-19/h4-13,18,21-22H,14-17H2,1-3H3,(H,26,28)/t18-,21-,22-/m1/s1/i26+1