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

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

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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)CC(C)(C)C

Isomeric SMILES

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

InChI

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