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

Systemtic Name: butyl 4-[[2-(octanoylamino)-3-phenyl-propanoyl]amino]benzoate Openeye Name: butyl 4-[[2-(octanoylamino)-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(1-oxooctylamino)-3-phenylpropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(octanoylamino)-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[2-(caprylylamino)-3-phenyl-propanoyl]amino]benzoic acid butyl ester Formula: C28H38N2O4 MolecularWeight: 466.61232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCCCC

Isomeric SMILES

CCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCCCC

InChI

InChI=1S/C28H38N2O4/c1-3-5-7-8-12-15-26(31)30-25(21-22-13-10-9-11-14-22)27(32)29-24-18-16-23(17-19-24)28(33)34-20-6-4-2/h9-11,13-14,16-19,25H,3-8,12,15,20-21H2,1-2H3,(H,29,32)(H,30,31)