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

Systemtic Name: butyl 4-[[2-[(2-fluorophenyl)carbamoylamino]-3-phenyl-propanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[(2-fluorophenyl)carbamoylamino]-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[2-[[(2-fluoroanilino)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(2-fluorophenyl)carbamoylamino]-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[2-[(2-fluorophenyl)carbamoylamino]-3-phenyl-propanoyl]amino]benzoic acid butyl ester Formula: C27H28FN3O4 MolecularWeight: 477.527323

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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)NC3=CC=CC=C3F

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C27H28FN3O4/c1-2-3-17-35-26(33)20-13-15-21(16-14-20)29-25(32)24(18-19-9-5-4-6-10-19)31-27(34)30-23-12-8-7-11-22(23)28/h4-16,24H,2-3,17-18H2,1H3,(H,29,32)(H2,30,31,34)