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

Systemtic Name: 2-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[2-(3-hexyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxypropanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(3-hexyl-4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]-3-methylbutanoic acid Traditional Name: 2-[2-(3-hexyl-2-keto-4,8-dimethyl-chromen-7-yl)oxypropanoylamino]-3-methyl-butyric acid Formula: C25H35NO6 MolecularWeight: 445.5485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO6/c1-7-8-9-10-11-19-15(4)18-12-13-20(16(5)22(18)32-25(19)30)31-17(6)23(27)26-21(14(2)3)24(28)29/h12-14,17,21H,7-11H2,1-6H3,(H,26,27)(H,28,29)