methyl (2S)-2-[[3-(4-cyanophenyl)-2-cyclohexyl-propanoyl]amino]-2-cyclohexyl-ethanoate

Systemtic Name: methyl (2S)-2-[[3-(4-cyanophenyl)-2-cyclohexyl-propanoyl]amino]-2-cyclohexyl-ethanoate Openeye Name: methyl (2S)-2-[[3-(4-cyanophenyl)-2-cyclohexyl-propanoyl]amino]-2-cyclohexyl-acetate CAS Name: (2S)-2-[[3-(4-cyanophenyl)-2-cyclohexyl-1-oxopropyl]amino]-2-cyclohexylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-(4-cyanophenyl)-2-cyclohexylpropanoyl]amino]-2-cyclohexylacetate Traditional Name: (2S)-2-[[3-(4-cyanophenyl)-2-cyclohexyl-propanoyl]amino]-2-cyclohexyl-acetic acid methyl ester Formula: C25H34N2O3 MolecularWeight: 410.54906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCCC1)NC(=O)C(CC2=CC=C(C=C2)C#N)C3CCCCC3

Isomeric SMILES

COC(=O)[C@H](C1CCCCC1)NC(=O)C(CC2=CC=C(C=C2)C#N)C3CCCCC3

InChI

InChI=1S/C25H34N2O3/c1-30-25(29)23(21-10-6-3-7-11-21)27-24(28)22(20-8-4-2-5-9-20)16-18-12-14-19(17-26)15-13-18/h12-15,20-23H,2-11,16H2,1H3,(H,27,28)/t22?,23-/m0/s1