(2S)-2-(4-hexoxyphenyl)-4-(methylamino)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-2-(4-hexoxyphenyl)-4-(methylamino)-4-oxidanylidene-butanoate Openeye Name: (2S)-2-(4-hexoxyphenyl)-4-(methylamino)-4-oxo-butanoate CAS Name: (2S)-2-(4-hexoxyphenyl)-4-(methylamino)-4-oxobutanoate IUPAC Name: (2S)-2-(4-hexoxyphenyl)-4-(methylamino)-4-oxobutanoate Traditional Name: (2S)-2-(4-hexoxyphenyl)-4-keto-4-(methylamino)butyrate Formula: C17H24NO4- MolecularWeight: 306.37676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(CC(=O)NC)C(=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)[C@H](CC(=O)NC)C(=O)[O-]

InChI

InChI=1S/C17H25NO4/c1-3-4-5-6-11-22-14-9-7-13(8-10-14)15(17(20)21)12-16(19)18-2/h7-10,15H,3-6,11-12H2,1-2H3,(H,18,19)(H,20,21)/p-1/t15-/m0/s1