methyl (2R,3S)-2-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2R,3S)-2-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl (2R,3S)-2-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C16H22ClNO4 MolecularWeight: 327.80318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)COC1=CC(=C(C=C1)Cl)C

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)COC1=CC(=C(C=C1)Cl)C

InChI

InChI=1S/C16H22ClNO4/c1-5-10(2)15(16(20)21-4)18-14(19)9-22-12-6-7-13(17)11(3)8-12/h6-8,10,15H,5,9H2,1-4H3,(H,18,19)/t10-,15+/m0/s1