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

Systemtic Name: butyl 4-[[2-(cyclohexylcarbamoylamino)-3-phenyl-propanoyl]amino]benzoate Openeye Name: butyl 4-[[2-(cyclohexylcarbamoylamino)-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[2-[[(cyclohexylamino)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[2-(cyclohexylcarbamoylamino)-3-phenyl-propanoyl]amino]benzoic acid butyl ester Formula: C27H35N3O4 MolecularWeight: 465.5845

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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)NC3CCCCC3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)NC3CCCCC3

InChI

InChI=1S/C27H35N3O4/c1-2-3-18-34-26(32)21-14-16-23(17-15-21)28-25(31)24(19-20-10-6-4-7-11-20)30-27(33)29-22-12-8-5-9-13-22/h4,6-7,10-11,14-17,22,24H,2-3,5,8-9,12-13,18-19H2,1H3,(H,28,31)(H2,29,30,33)