(3,4-dimethoxyphenyl)methyl (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (3,4-dimethoxyphenyl)methyl (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (3,4-dimethoxyphenyl)methyl (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (3,4-dimethoxyphenyl)methyl ester IUPAC Name: (3,4-dimethoxyphenyl)methyl (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid veratryl ester Formula: C21H24FNO5 MolecularWeight: 389.417363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C21H24FNO5/c1-13(2)19(23-20(24)15-7-5-6-8-16(15)22)21(25)28-12-14-9-10-17(26-3)18(11-14)27-4/h5-11,13,19H,12H2,1-4H3,(H,23,24)/t19-/m0/s1