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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC(CC(=O)NC2=CC=CC=C2OC)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C[C@@H](CC(=O)NC2=CC=CC=C2OC)C(=O)[O-])C

InChI

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