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

Systemtic Name: butyl 4-[[2-(3-cyclopentylpropanoylamino)-3-phenyl-propanoyl]amino]benzoate Openeye Name: butyl 4-[[2-(3-cyclopentylpropanoylamino)-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[2-[(3-cyclopentyl-1-oxopropyl)amino]-1-oxo-3-phenylpropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3-cyclopentylpropanoylamino)-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[2-(3-cyclopentylpropanoylamino)-3-phenyl-propanoyl]amino]benzoic acid butyl ester Formula: C28H36N2O4 MolecularWeight: 464.59644

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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)CCC3CCCC3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)CCC3CCCC3

InChI

InChI=1S/C28H36N2O4/c1-2-3-19-34-28(33)23-14-16-24(17-15-23)29-27(32)25(20-22-11-5-4-6-12-22)30-26(31)18-13-21-9-7-8-10-21/h4-6,11-12,14-17,21,25H,2-3,7-10,13,18-20H2,1H3,(H,29,32)(H,30,31)