2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(4-butyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[(4-butyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(4-butyl-2-oxochromen-7-yl)oxyacetyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-(4-butyl-2-keto-chromen-7-yl)oxyacetyl]amino]-4-methyl-valeric acid Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C21H27NO6/c1-4-5-6-14-10-20(24)28-18-11-15(7-8-16(14)18)27-12-19(23)22-17(21(25)26)9-13(2)3/h7-8,10-11,13,17H,4-6,9,12H2,1-3H3,(H,22,23)(H,25,26)