(2S,3R)-4-[(4-ethoxyphenyl)amino]-3-methyl-2-[(4-methylphenyl)methyl]-4-oxidanylidene-butanoate

Systemtic Name: (2S,3R)-4-[(4-ethoxyphenyl)amino]-3-methyl-2-[(4-methylphenyl)methyl]-4-oxidanylidene-butanoate Openeye Name: (2S,3R)-4-(4-ethoxyanilino)-3-methyl-4-oxo-2-(p-tolylmethyl)butanoate CAS Name: (2S,3R)-4-(4-ethoxyanilino)-3-methyl-2-[(4-methylphenyl)methyl]-4-oxobutanoate IUPAC Name: (2S,3R)-4-(4-ethoxyanilino)-3-methyl-2-[(4-methylphenyl)methyl]-4-oxobutanoate Traditional Name: (2S,3R)-4-keto-3-methyl-2-(4-methylbenzyl)-4-(p-phenetidino)butyrate Formula: C21H24NO4- MolecularWeight: 354.41956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)C(CC2=CC=C(C=C2)C)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)[C@H](CC2=CC=C(C=C2)C)C(=O)[O-]

InChI

InChI=1S/C21H25NO4/c1-4-26-18-11-9-17(10-12-18)22-20(23)15(3)19(21(24)25)13-16-7-5-14(2)6-8-16/h5-12,15,19H,4,13H2,1-3H3,(H,22,23)(H,24,25)/p-1/t15-,19+/m1/s1