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

Systemtic Name: (2S,3S)-4-[(4-ethoxyphenyl)amino]-2-methyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-butanoate Openeye Name: (2S,3S)-4-(4-ethoxyanilino)-2-methyl-4-oxo-3-(p-tolylmethyl)butanoate CAS Name: (2S,3S)-4-(4-ethoxyanilino)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxobutanoate IUPAC Name: (2S,3S)-4-(4-ethoxyanilino)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxobutanoate Traditional Name: (2S,3S)-4-keto-2-methyl-3-(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(CC2=CC=C(C=C2)C)C(C)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4/c1-4-26-18-11-9-17(10-12-18)22-20(23)19(15(3)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-/m0/s1