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

Systemtic Name: 2-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[2-(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxypropanoylamino]-3-methylbutanoic acid Traditional Name: 2-[2-(3-hexyl-2-keto-4-methyl-chromen-7-yl)oxypropanoylamino]-3-methyl-butyric acid Formula: C24H33NO6 MolecularWeight: 431.52192

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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)OC1=O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO6/c1-6-7-8-9-10-19-15(4)18-12-11-17(13-20(18)31-24(19)29)30-16(5)22(26)25-21(14(2)3)23(27)28/h11-14,16,21H,6-10H2,1-5H3,(H,25,26)(H,27,28)