[4-(phenylcarbamoyl)phenyl]methyl (2S)-2-[[2,6-bis(fluoranyl)phenyl]carbonylamino]-3-methyl-butanoate

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl (2S)-2-[[2,6-bis(fluoranyl)phenyl]carbonylamino]-3-methyl-butanoate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl (2S)-2-[(2,6-difluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2,6-difluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl (2S)-2-[(2,6-difluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2,6-difluorobenzoyl)amino]-3-methyl-butyric acid [4-(phenylcarbamoyl)benzyl] ester Formula: C26H24F2N2O4 MolecularWeight: 466.476566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C26H24F2N2O4/c1-16(2)23(30-25(32)22-20(27)9-6-10-21(22)28)26(33)34-15-17-11-13-18(14-12-17)24(31)29-19-7-4-3-5-8-19/h3-14,16,23H,15H2,1-2H3,(H,29,31)(H,30,32)/t23-/m0/s1