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

Systemtic Name: 2-[3-(3-tert-butyl-5-methyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[3-(3-tert-butyl-5-methyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]-3-methyl-pentanoic acid CAS Name: 2-[[3-(3-tert-butyl-5-methyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[3-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-3-methylpentanoic acid Traditional Name: 2-[3-(3-tert-butyl-7-keto-5-methyl-furo[3,2-g]chromen-6-yl)propanoylamino]-3-methyl-valeric acid Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CCC1=C(C2=C(C=C3C(=C2)C(=CO3)C(C)(C)C)OC1=O)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CCC1=C(C2=C(C=C3C(=C2)C(=CO3)C(C)(C)C)OC1=O)C

InChI

InChI=1S/C25H31NO6/c1-7-13(2)22(23(28)29)26-21(27)9-8-15-14(3)16-10-17-18(25(4,5)6)12-31-19(17)11-20(16)32-24(15)30/h10-13,22H,7-9H2,1-6H3,(H,26,27)(H,28,29)