(5-chloranyl-2-methoxy-phenyl)methyl (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (5-chloro-2-methoxy-phenyl)methyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (5-chloro-2-methoxyphenyl)methyl ester IUPAC Name: (5-chloro-2-methoxyphenyl)methyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(p-anisoylamino)butyric acid (5-chloro-2-methoxy-benzyl) ester Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO5/c1-13(2)19(23-20(24)14-5-8-17(26-3)9-6-14)21(25)28-12-15-11-16(22)7-10-18(15)27-4/h5-11,13,19H,12H2,1-4H3,(H,23,24)/t19-/m0/s1