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

Systemtic Name: 2-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]ethanoic acid Openeye Name: 2-[2-(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]acetic acid CAS Name: 2-[[2-[(3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxypropanoylamino]acetic acid Traditional Name: 2-[2-(3-hexyl-2-keto-4-methyl-chromen-7-yl)oxypropanoylamino]acetic acid Formula: C21H27NO6 MolecularWeight: 389.44218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6/c1-4-5-6-7-8-17-13(2)16-10-9-15(11-18(16)28-21(17)26)27-14(3)20(25)22-12-19(23)24/h9-11,14H,4-8,12H2,1-3H3,(H,22,25)(H,23,24)