[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(4-pentoxyphenyl)butanoate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(4-pentoxyphenyl)butanoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-pentoxyphenyl)butanoic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 4-oxo-4-(4-pentoxyphenyl)butanoate Traditional Name: 4-(4-amoxyphenyl)-4-keto-butyric acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C24H34N2O5 MolecularWeight: 430.53716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C24H34N2O5/c1-6-7-8-15-30-20-11-9-19(10-12-20)21(27)13-14-22(28)31-18(4)23(29)26-24(5,16-25)17(2)3/h9-12,17-18H,6-8,13-15H2,1-5H3,(H,26,29)