(2S)-4-[(2,5-dimethylphenyl)amino]-2-[(3-methoxyphenyl)methyl]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-[(2,5-dimethylphenyl)amino]-2-[(3-methoxyphenyl)methyl]-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(2,5-dimethylanilino)-2-[(3-methoxyphenyl)methyl]-4-oxo-butanoate CAS Name: (2S)-4-(2,5-dimethylanilino)-2-[(3-methoxyphenyl)methyl]-4-oxobutanoate IUPAC Name: (2S)-4-(2,5-dimethylanilino)-2-[(3-methoxyphenyl)methyl]-4-oxobutanoate Traditional Name: (2S)-4-(2,5-dimethylanilino)-4-keto-2-m-anisyl-butyrate Formula: C20H22NO4- MolecularWeight: 340.39298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CC(CC2=CC(=CC=C2)OC)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C[C@H](CC2=CC(=CC=C2)OC)C(=O)[O-]

InChI

InChI=1S/C20H23NO4/c1-13-7-8-14(2)18(9-13)21-19(22)12-16(20(23)24)10-15-5-4-6-17(11-15)25-3/h4-9,11,16H,10,12H2,1-3H3,(H,21,22)(H,23,24)/p-1/t16-/m0/s1