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

Systemtic Name: 2-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[2-(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[(3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxypropanoylamino]-4-methylpentanoic acid Traditional Name: 2-[2-(3-hexyl-2-keto-4-methyl-chromen-7-yl)oxypropanoylamino]-4-methyl-valeric 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(CC(C)C)C(=O)O)OC1=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO6/c1-6-7-8-9-10-20-16(4)19-12-11-18(14-22(19)32-25(20)30)31-17(5)23(27)26-21(24(28)29)13-15(2)3/h11-12,14-15,17,21H,6-10,13H2,1-5H3,(H,26,27)(H,28,29)