(2S)-2-(4-butoxyphenyl)-4-(methylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-2-(4-butoxyphenyl)-4-(methylamino)-4-oxidanylidene-butanoic acid Openeye Name: (2S)-2-(4-butoxyphenyl)-4-(methylamino)-4-oxo-butanoic acid CAS Name: (2S)-2-(4-butoxyphenyl)-4-(methylamino)-4-oxobutanoic acid IUPAC Name: (2S)-2-(4-butoxyphenyl)-4-(methylamino)-4-oxobutanoic acid Traditional Name: (2S)-2-(4-butoxyphenyl)-4-keto-4-(methylamino)butyric acid Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(CC(=O)NC)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@H](CC(=O)NC)C(=O)O

InChI

InChI=1S/C15H21NO4/c1-3-4-9-20-12-7-5-11(6-8-12)13(15(18)19)10-14(17)16-2/h5-8,13H,3-4,9-10H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1