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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC(CC(C)C)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N[C@@H](CC(C)C)C(=O)OC)Cl

InChI

InChI=1S/C16H22ClNO4/c1-10(2)7-14(16(20)21-4)18-15(19)9-22-12-5-6-13(17)11(3)8-12/h5-6,8,10,14H,7,9H2,1-4H3,(H,18,19)/t14-/m0/s1