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

Systemtic Name: (2S)-2-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]butanedioate Openeye Name: (2S)-2-[[2-(3-hexyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]butanedioate CAS Name: (2S)-2-[[2-[(3-hexyl-4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]butanedioate IUPAC Name: (2S)-2-[[2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]butanedioate Traditional Name: (2S)-2-[[2-(3-hexyl-2-keto-4,8-dimethyl-chromen-7-yl)oxyacetyl]amino]succinate Formula: C23H27NO8-2 MolecularWeight: 445.46238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO8/c1-4-5-6-7-8-16-13(2)15-9-10-18(14(3)21(15)32-23(16)30)31-12-19(25)24-17(22(28)29)11-20(26)27/h9-10,17H,4-8,11-12H2,1-3H3,(H,24,25)(H,26,27)(H,28,29)/p-2/t17-/m0/s1