hexyl 4-[3-(4-propan-2-ylphenyl)propanoylamino]benzoate

Systemtic Name: hexyl 4-[3-(4-propan-2-ylphenyl)propanoylamino]benzoate Openeye Name: hexyl 4-[3-(4-isopropylphenyl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-(4-propan-2-ylphenyl)propyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[3-(4-propan-2-ylphenyl)propanoylamino]benzoate Traditional Name: 4-(3-p-cumenylpropanoylamino)benzoic acid hexyl ester Formula: C25H33NO3 MolecularWeight: 395.53442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C25H33NO3/c1-4-5-6-7-18-29-25(28)22-13-15-23(16-14-22)26-24(27)17-10-20-8-11-21(12-9-20)19(2)3/h8-9,11-16,19H,4-7,10,17-18H2,1-3H3,(H,26,27)