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

Systemtic Name: butyl 4-[[2-(hexanoylamino)-3-phenyl-propanoyl]amino]benzoate Openeye Name: butyl 4-[[2-(hexanoylamino)-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(1-oxohexylamino)-3-phenylpropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(hexanoylamino)-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[2-(caproylamino)-3-phenyl-propanoyl]amino]benzoic acid butyl ester Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O4/c1-3-5-8-13-24(29)28-23(19-20-11-9-7-10-12-20)25(30)27-22-16-14-21(15-17-22)26(31)32-18-6-4-2/h7,9-12,14-17,23H,3-6,8,13,18-19H2,1-2H3,(H,27,30)(H,28,29)