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

Systemtic Name: 2-[3-(3-tert-butyl-5-methyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid Openeye Name: 2-[3-(3-tert-butyl-5-methyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid CAS Name: 2-[[3-(3-tert-butyl-5-methyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]pentanoic acid IUPAC Name: 2-[3-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid Traditional Name: 2-[3-(3-tert-butyl-7-keto-5-methyl-furo[3,2-g]chromen-6-yl)propanoylamino]valeric acid Formula: C24H29NO6 MolecularWeight: 427.49016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO6/c1-6-7-18(22(27)28)25-21(26)9-8-14-13(2)15-10-16-17(24(3,4)5)12-30-19(16)11-20(15)31-23(14)29/h10-12,18H,6-9H2,1-5H3,(H,25,26)(H,27,28)