(2-chloranyl-4-fluoranyl-phenyl)methyl 2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)methyl 2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (2-chloro-4-fluoro-phenyl)methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (2-chloro-4-fluorophenyl)methyl ester IUPAC Name: (2-chloro-4-fluorophenyl)methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butyric acid (2-chloro-4-fluoro-benzyl) ester Formula: C21H23ClFNO5 MolecularWeight: 423.862423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C(C=C(C=C1)F)Cl)NC(=O)C2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CC(C)C(C(=O)OCC1=C(C=C(C=C1)F)Cl)NC(=O)C2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C21H23ClFNO5/c1-12(2)19(21(26)29-11-13-5-6-15(23)9-18(13)22)24-20(25)14-7-16(27-3)10-17(8-14)28-4/h5-10,12,19H,11H2,1-4H3,(H,24,25)