ethyl (2S,3S,4R)-4-cyano-2-[(4-methoxyphenyl)amino]-4-oxidanyl-3-(phenylmethyl)butanoate

Systemtic Name: ethyl (2S,3S,4R)-4-cyano-2-[(4-methoxyphenyl)amino]-4-oxidanyl-3-(phenylmethyl)butanoate Openeye Name: ethyl (2S,3S,4R)-3-benzyl-4-cyano-4-hydroxy-2-(4-methoxyanilino)butanoate CAS Name: (2S,3S,4R)-4-cyano-4-hydroxy-2-(4-methoxyanilino)-3-(phenylmethyl)butanoic acid ethyl ester IUPAC Name: ethyl (2S,3S,4R)-3-benzyl-4-cyano-4-hydroxy-2-(4-methoxyanilino)butanoate Traditional Name: (2S,3S,4R)-3-benzyl-4-cyano-4-hydroxy-2-(p-anisidino)butyric acid ethyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC1=CC=CC=C1)C(C#N)O)NC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)[C@H]([C@H](CC1=CC=CC=C1)[C@H](C#N)O)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H24N2O4/c1-3-27-21(25)20(23-16-9-11-17(26-2)12-10-16)18(19(24)14-22)13-15-7-5-4-6-8-15/h4-12,18-20,23-24H,3,13H2,1-2H3/t18-,19+,20+/m1/s1