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

Systemtic Name: butyl 4-[[2-(3-methylbutanoylamino)-3-phenyl-propanoyl]amino]benzoate Openeye Name: butyl 4-[[2-(3-methylbutanoylamino)-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[2-[(3-methyl-1-oxobutyl)amino]-1-oxo-3-phenylpropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3-methylbutanoylamino)-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[2-(isovalerylamino)-3-phenyl-propanoyl]amino]benzoic acid butyl ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4/c1-4-5-15-31-25(30)20-11-13-21(14-12-20)26-24(29)22(27-23(28)16-18(2)3)17-19-9-7-6-8-10-19/h6-14,18,22H,4-5,15-17H2,1-3H3,(H,26,29)(H,27,28)