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

Systemtic Name: butyl 4-[[2-[(3-fluorophenyl)carbonylamino]-3-phenyl-propanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[(3-fluorobenzoyl)amino]-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[2-[[(3-fluorophenyl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(3-fluorobenzoyl)amino]-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[2-[(3-fluorobenzoyl)amino]-3-phenyl-propanoyl]amino]benzoic acid butyl ester Formula: C27H27FN2O4 MolecularWeight: 462.512683

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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)C3=CC(=CC=C3)F

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C27H27FN2O4/c1-2-3-16-34-27(33)20-12-14-23(15-13-20)29-26(32)24(17-19-8-5-4-6-9-19)30-25(31)21-10-7-11-22(28)18-21/h4-15,18,24H,2-3,16-17H2,1H3,(H,29,32)(H,30,31)