methyl 2-fluoranyl-6-[3-fluoranyl-4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]methyl]phenyl]benzoate

Systemtic Name: methyl 2-fluoranyl-6-[3-fluoranyl-4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[4-(tert-butoxycarbonylamino)butanoylamino]methyl]-3-fluoro-phenyl]-6-fluoro-benzoate CAS Name: 2-fluoro-6-[3-fluoro-4-[[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-fluoro-6-[3-fluoro-4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]methyl]phenyl]benzoate Traditional Name: 2-[4-[[4-(tert-butoxycarbonylamino)butanoylamino]methyl]-3-fluoro-phenyl]-6-fluoro-benzoic acid methyl ester Formula: C24H28F2N2O5 MolecularWeight: 462.486326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)NCC1=C(C=C(C=C1)C2=C(C(=CC=C2)F)C(=O)OC)F

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)NCC1=C(C=C(C=C1)C2=C(C(=CC=C2)F)C(=O)OC)F

InChI

InChI=1S/C24H28F2N2O5/c1-24(2,3)33-23(31)27-12-6-9-20(29)28-14-16-11-10-15(13-19(16)26)17-7-5-8-18(25)21(17)22(30)32-4/h5,7-8,10-11,13H,6,9,12,14H2,1-4H3,(H,27,31)(H,28,29)