[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 4-cyclohexylbenzoate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 4-cyclohexylbenzoate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 4-cyclohexylbenzoate CAS Name: 4-cyclohexylbenzoic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 4-cyclohexylbenzoate Traditional Name: 4-cyclohexylbenzoic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

C[C@@](C#N)(C1CC1)NC(=O)COC(=O)C2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C21H26N2O3/c1-21(14-22,18-11-12-18)23-19(24)13-26-20(25)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,15,18H,2-6,11-13H2,1H3,(H,23,24)/t21-/m1/s1