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

Systemtic Name: 3-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]propanoic acid Openeye Name: 3-[2-(3-hexyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxypropanoylamino]propanoic acid CAS Name: 3-[[2-[(3-hexyl-4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid Traditional Name: 3-[2-(3-hexyl-2-keto-4,8-dimethyl-chromen-7-yl)oxypropanoylamino]propionic acid Formula: C23H31NO6 MolecularWeight: 417.49534

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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)C)OC1=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO6/c1-5-6-7-8-9-18-14(2)17-10-11-19(15(3)21(17)30-23(18)28)29-16(4)22(27)24-13-12-20(25)26/h10-11,16H,5-9,12-13H2,1-4H3,(H,24,27)(H,25,26)