4-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]butanoic acid

Systemtic Name: 4-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]butanoic acid Openeye Name: 4-[2-(3-hexyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxypropanoylamino]butanoic acid CAS Name: 4-[[2-[(3-hexyl-4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-[2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]butanoic acid Traditional Name: 4-[2-(3-hexyl-2-keto-4,8-dimethyl-chromen-7-yl)oxypropanoylamino]butyric acid Formula: C24H33NO6 MolecularWeight: 431.52192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO6/c1-5-6-7-8-10-19-15(2)18-12-13-20(16(3)22(18)31-24(19)29)30-17(4)23(28)25-14-9-11-21(26)27/h12-13,17H,5-11,14H2,1-4H3,(H,25,28)(H,26,27)