ethyl (2S,3R,4R)-2-[(4-methoxyphenyl)methylamino]-3-methyl-4-oxidanyl-pentanoate

Systemtic Name: ethyl (2S,3R,4R)-2-[(4-methoxyphenyl)methylamino]-3-methyl-4-oxidanyl-pentanoate Openeye Name: ethyl (2S,3R,4R)-4-hydroxy-2-[(4-methoxyphenyl)methylamino]-3-methyl-pentanoate CAS Name: (2S,3R,4R)-4-hydroxy-2-[(4-methoxyphenyl)methylamino]-3-methylpentanoic acid ethyl ester IUPAC Name: ethyl (2S,3R,4R)-4-hydroxy-2-[(4-methoxyphenyl)methylamino]-3-methylpentanoate Traditional Name: (2S,3R,4R)-4-hydroxy-3-methyl-2-(p-anisylamino)valeric acid ethyl ester Formula: C16H25NO4 MolecularWeight: 295.374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C(C)O)NCC1=CC=C(C=C1)OC

Isomeric SMILES

CCOC(=O)[C@H]([C@@H](C)[C@@H](C)O)NCC1=CC=C(C=C1)OC

InChI

InChI=1S/C16H25NO4/c1-5-21-16(19)15(11(2)12(3)18)17-10-13-6-8-14(20-4)9-7-13/h6-9,11-12,15,17-18H,5,10H2,1-4H3/t11-,12+,15-/m0/s1