O5-tert-butyl O1-methyl (2S)-2-[2-chloranylethanoyl-[(4-methoxyphenyl)methyl]amino]pentanedioate

Systemtic Name: O5-tert-butyl O1-methyl (2S)-2-[2-chloranylethanoyl-[(4-methoxyphenyl)methyl]amino]pentanedioate Openeye Name: O5-tert-butyl O1-methyl (2S)-2-[(2-chloroacetyl)-[(4-methoxyphenyl)methyl]amino]pentanedioate CAS Name: (2S)-2-[(2-chloro-1-oxoethyl)-[(4-methoxyphenyl)methyl]amino]pentanedioic acid O5-tert-butyl ester O1-methyl ester IUPAC Name: 5-O-tert-butyl 1-O-methyl (2S)-2-[(2-chloroacetyl)-[(4-methoxyphenyl)methyl]amino]pentanedioate Traditional Name: (2S)-2-[(2-chloroacetyl)-p-anisyl-amino]glutaric acid O5-tert-butyl ester O1-methyl ester Formula: C20H28ClNO6 MolecularWeight: 413.89242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClNO6/c1-20(2,3)28-18(24)11-10-16(19(25)27-5)22(17(23)12-21)13-14-6-8-15(26-4)9-7-14/h6-9,16H,10-13H2,1-5H3/t16-/m0/s1