2-[3-(3-tert-butyl-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid

Systemtic Name: 2-[3-(3-tert-butyl-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid Openeye Name: 2-[3-(3-tert-butyl-5,9-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid CAS Name: 2-[[3-(3-tert-butyl-5,9-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]pentanoic acid IUPAC Name: 2-[3-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid Traditional Name: 2-[3-(3-tert-butyl-7-keto-5,9-dimethyl-furo[3,2-g]chromen-6-yl)propanoylamino]valeric acid Formula: C25H31NO6 MolecularWeight: 441.51674

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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)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)C)OC1=O)C

InChI

InChI=1S/C25H31NO6/c1-7-8-19(23(28)29)26-20(27)10-9-15-13(2)16-11-17-18(25(4,5)6)12-31-21(17)14(3)22(16)32-24(15)30/h11-12,19H,7-10H2,1-6H3,(H,26,27)(H,28,29)