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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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