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

Systemtic Name: butyl 4-[[2-(cyclohexylcarbonylamino)-3-phenyl-propanoyl]amino]benzoate Openeye Name: butyl 4-[[2-(cyclohexanecarbonylamino)-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[2-[[cyclohexyl(oxo)methyl]amino]-1-oxo-3-phenylpropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(cyclohexanecarbonylamino)-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[2-(cyclohexanecarbonylamino)-3-phenyl-propanoyl]amino]benzoic acid butyl ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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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)C3CCCCC3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C27H34N2O4/c1-2-3-18-33-27(32)22-14-16-23(17-15-22)28-26(31)24(19-20-10-6-4-7-11-20)29-25(30)21-12-8-5-9-13-21/h4,6-7,10-11,14-17,21,24H,2-3,5,8-9,12-13,18-19H2,1H3,(H,28,31)(H,29,30)