[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-acetyloxyphenyl)benzoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-acetyloxyphenyl)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 4-(4-acetoxyphenyl)benzoate CAS Name: 4-(4-acetyloxyphenyl)benzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-(4-acetyloxyphenyl)benzoate Traditional Name: 4-(4-acetoxyphenyl)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C

InChI

InChI=1S/C25H26N2O5/c1-17(23(29)27-25(16-26)14-4-3-5-15-25)31-24(30)21-8-6-19(7-9-21)20-10-12-22(13-11-20)32-18(2)28/h6-13,17H,3-5,14-15H2,1-2H3,(H,27,29)