butyl 4-[[2-[(4-tert-butylphenyl)carbonylamino]-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-[(4-tert-butylphenyl)carbonylamino]-3-phenyl-propanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[(4-tert-butylbenzoyl)amino]-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[2-[[(4-tert-butylphenyl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[2-[(4-tert-butylbenzoyl)amino]-3-phenyl-propanoyl]amino]benzoic acid butyl ester Formula: C31H36N2O4 MolecularWeight: 500.62854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C31H36N2O4/c1-5-6-20-37-30(36)24-14-18-26(19-15-24)32-29(35)27(21-22-10-8-7-9-11-22)33-28(34)23-12-16-25(17-13-23)31(2,3)4/h7-19,27H,5-6,20-21H2,1-4H3,(H,32,35)(H,33,34)