(2S)-2-[2-[4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanoylamino]hexanoate

Systemtic Name: (2S)-2-[2-[4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanoylamino]hexanoate Openeye Name: (2S)-2-[[2-(3-benzyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]hexanoate CAS Name: (2S)-2-[[2-[[4,8-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]hexanoate IUPAC Name: (2S)-2-[[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]hexanoate Traditional Name: (2S)-2-[[2-(3-benzyl-2-keto-4,8-dimethyl-chromen-7-yl)oxyacetyl]amino]hexanoate Formula: C26H28NO6- MolecularWeight: 450.50362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])NC(=O)COC1=C(C2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)C

Isomeric SMILES

CCCC[C@@H](C(=O)[O-])NC(=O)COC1=C(C2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)C

InChI

InChI=1S/C26H29NO6/c1-4-5-11-21(25(29)30)27-23(28)15-32-22-13-12-19-16(2)20(14-18-9-7-6-8-10-18)26(31)33-24(19)17(22)3/h6-10,12-13,21H,4-5,11,14-15H2,1-3H3,(H,27,28)(H,29,30)/p-1/t21-/m0/s1