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

Systemtic Name: butyl 4-[[2-[(4-methylphenyl)carbonylamino]-3-phenyl-propanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[(4-methylbenzoyl)amino]-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[2-[[(4-methylphenyl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(4-methylbenzoyl)amino]-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[3-phenyl-2-(p-toluoylamino)propanoyl]amino]benzoic acid butyl ester Formula: C28H30N2O4 MolecularWeight: 458.5488

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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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O4/c1-3-4-18-34-28(33)23-14-16-24(17-15-23)29-27(32)25(19-21-8-6-5-7-9-21)30-26(31)22-12-10-20(2)11-13-22/h5-17,25H,3-4,18-19H2,1-2H3,(H,29,32)(H,30,31)