(3S)-4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-3-[(2S)-oxolan-2-yl]butanoate

Systemtic Name: (3S)-4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-3-[(2S)-oxolan-2-yl]butanoate Openeye Name: (3S)-4-(2,5-dimethylanilino)-4-oxo-3-[(2S)-tetrahydrofuran-2-yl]butanoate CAS Name: (3S)-4-(2,5-dimethylanilino)-4-oxo-3-[(2S)-2-oxolanyl]butanoate IUPAC Name: (3S)-4-(2,5-dimethylanilino)-4-oxo-3-[(2S)-oxolan-2-yl]butanoate Traditional Name: (3S)-4-(2,5-dimethylanilino)-4-keto-3-[(2S)-tetrahydrofuran-2-yl]butyrate Formula: C16H20NO4- MolecularWeight: 290.3343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(CC(=O)[O-])C2CCCO2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@@H](CC(=O)[O-])[C@@H]2CCCO2

InChI

InChI=1S/C16H21NO4/c1-10-5-6-11(2)13(8-10)17-16(20)12(9-15(18)19)14-4-3-7-21-14/h5-6,8,12,14H,3-4,7,9H2,1-2H3,(H,17,20)(H,18,19)/p-1/t12-,14-/m0/s1