2-[3-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[3-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[3-(3,5-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]-4-methyl-pentanoic acid CAS Name: 2-[[3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-4-methylpentanoic acid Traditional Name: 2-[3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propanoylamino]-4-methyl-valeric acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NC(CC(C)C)C(=O)O)C

Isomeric SMILES

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NC(CC(C)C)C(=O)O)C

InChI

InChI=1S/C22H25NO6/c1-11(2)7-17(21(25)26)23-20(24)6-5-14-13(4)16-8-15-12(3)10-28-18(15)9-19(16)29-22(14)27/h8-11,17H,5-7H2,1-4H3,(H,23,24)(H,25,26)