(2S)-2-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[2-(3-hexyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[(3-hexyl-4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-(3-hexyl-2-keto-4,8-dimethyl-chromen-7-yl)oxyacetyl]amino]-3-methyl-butyrate Formula: C24H32NO6- MolecularWeight: 430.51398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C(=C(C=C2)OCC(=O)NC(C(C)C)C(=O)[O-])C)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C(=C(C=C2)OCC(=O)N[C@@H](C(C)C)C(=O)[O-])C)OC1=O)C

InChI

InChI=1S/C24H33NO6/c1-6-7-8-9-10-18-15(4)17-11-12-19(16(5)22(17)31-24(18)29)30-13-20(26)25-21(14(2)3)23(27)28/h11-12,14,21H,6-10,13H2,1-5H3,(H,25,26)(H,27,28)/p-1/t21-/m0/s1