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

Systemtic Name: butyl 4-[[2-[(4-methylphenyl)carbamoylamino]-3-phenyl-propanoyl]amino]benzoate Openeye Name: butyl 4-[[3-phenyl-2-(p-tolylcarbamoylamino)propanoyl]amino]benzoate CAS Name: 4-[[2-[[(4-methylanilino)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(4-methylphenyl)carbamoylamino]-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[3-phenyl-2-(p-tolylcarbamoylamino)propanoyl]amino]benzoic acid butyl ester Formula: C28H31N3O4 MolecularWeight: 473.56344

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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)NC3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C28H31N3O4/c1-3-4-18-35-27(33)22-12-16-23(17-13-22)29-26(32)25(19-21-8-6-5-7-9-21)31-28(34)30-24-14-10-20(2)11-15-24/h5-17,25H,3-4,18-19H2,1-2H3,(H,29,32)(H2,30,31,34)