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

Systemtic Name: 3-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]propanoic acid Openeye Name: 3-[2-(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]propanoic acid CAS Name: 3-[[2-[(3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid Traditional Name: 3-[2-(3-hexyl-2-keto-4-methyl-chromen-7-yl)oxypropanoylamino]propionic acid Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO6/c1-4-5-6-7-8-18-14(2)17-10-9-16(13-19(17)29-22(18)27)28-15(3)21(26)23-12-11-20(24)25/h9-10,13,15H,4-8,11-12H2,1-3H3,(H,23,26)(H,24,25)