4-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]butanoic acid

Systemtic Name: 4-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]butanoic acid Openeye Name: 4-[[2-(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]butanoic acid CAS Name: 4-[[2-[(3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]butanoic acid Traditional Name: 4-[[2-(3-hexyl-2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]butyric acid Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C=C(C=C2)OCC(=O)NCCCC(=O)O)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C=C(C=C2)OCC(=O)NCCCC(=O)O)OC1=O)C

InChI

InChI=1S/C22H29NO6/c1-3-4-5-6-8-18-15(2)17-11-10-16(13-19(17)29-22(18)27)28-14-20(24)23-12-7-9-21(25)26/h10-11,13H,3-9,12,14H2,1-2H3,(H,23,24)(H,25,26)