tert-butyl (2S)-2-[2-chloranylethanoyl-[(4-methoxyphenyl)methyl]amino]-4-methyl-pentanoate

Systemtic Name: tert-butyl (2S)-2-[2-chloranylethanoyl-[(4-methoxyphenyl)methyl]amino]-4-methyl-pentanoate Openeye Name: tert-butyl (2S)-2-[(2-chloroacetyl)-[(4-methoxyphenyl)methyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[(2-chloro-1-oxoethyl)-[(4-methoxyphenyl)methyl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2-chloroacetyl)-[(4-methoxyphenyl)methyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[(2-chloroacetyl)-p-anisyl-amino]-4-methyl-valeric acid tert-butyl ester Formula: C20H30ClNO4 MolecularWeight: 383.9095

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)(C)C)N(CC1=CC=C(C=C1)OC)C(=O)CCl

Isomeric SMILES

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

InChI

InChI=1S/C20H30ClNO4/c1-14(2)11-17(19(24)26-20(3,4)5)22(18(23)12-21)13-15-7-9-16(25-6)10-8-15/h7-10,14,17H,11-13H2,1-6H3/t17-/m0/s1