[2-(4-heptylphenyl)-2-oxidanylidene-ethyl] 2-benzamido-3-phenyl-propanoate

Systemtic Name: [2-(4-heptylphenyl)-2-oxidanylidene-ethyl] 2-benzamido-3-phenyl-propanoate Openeye Name: [2-(4-heptylphenyl)-2-oxo-ethyl] 2-benzamido-3-phenyl-propanoate CAS Name: 2-benzamido-3-phenylpropanoic acid [2-(4-heptylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-heptylphenyl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate Traditional Name: 2-benzamido-3-phenyl-propionic acid [2-(4-heptylphenyl)-2-keto-ethyl] ester Formula: C31H35NO4 MolecularWeight: 485.6139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C31H35NO4/c1-2-3-4-5-8-13-24-18-20-26(21-19-24)29(33)23-36-31(35)28(22-25-14-9-6-10-15-25)32-30(34)27-16-11-7-12-17-27/h6-7,9-12,14-21,28H,2-5,8,13,22-23H2,1H3,(H,32,34)