(2S)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]pentanedioate

Systemtic Name: (2S)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]pentanedioate Openeye Name: (2S)-2-[[2-(4-butyl-8-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]pentanedioate CAS Name: (2S)-2-[[2-[(4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]pentanedioate IUPAC Name: (2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanedioate Traditional Name: (2S)-2-[[2-(4-butyl-2-keto-8-methyl-chromen-7-yl)oxyacetyl]amino]glutarate Formula: C21H23NO8-2 MolecularWeight: 417.40922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)NC(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C21H25NO8/c1-3-4-5-13-10-19(26)30-20-12(2)16(8-6-14(13)20)29-11-17(23)22-15(21(27)28)7-9-18(24)25/h6,8,10,15H,3-5,7,9,11H2,1-2H3,(H,22,23)(H,24,25)(H,27,28)/p-2/t15-/m0/s1