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

Systemtic Name: 4-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]butanoic acid Openeye Name: 4-[2-(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]butanoic acid CAS Name: 4-[[2-[(3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxypropanoylamino]butanoic acid Traditional Name: 4-[2-(3-hexyl-2-keto-4-methyl-chromen-7-yl)oxypropanoylamino]butyric acid Formula: C23H31NO6 MolecularWeight: 417.49534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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