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

Systemtic Name: 4-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]butanoic acid Openeye Name: 4-[[2-(3-hexyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]butanoic acid CAS Name: 4-[[2-[(3-hexyl-4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]butanoic acid Traditional Name: 4-[[2-(3-hexyl-2-keto-4,8-dimethyl-chromen-7-yl)oxyacetyl]amino]butyric acid Formula: C23H31NO6 MolecularWeight: 417.49534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO6/c1-4-5-6-7-9-18-15(2)17-11-12-19(16(3)22(17)30-23(18)28)29-14-20(25)24-13-8-10-21(26)27/h11-12H,4-10,13-14H2,1-3H3,(H,24,25)(H,26,27)