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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CC1=C(C2=C(C(=C3C(=C2)C(=CO3)C(C)(C)C)C)OC1=O)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CC1=C(C2=C(C(=C3C(=C2)C(=CO3)C(C)(C)C)C)OC1=O)C

InChI

InChI=1S/C25H31NO6/c1-8-12(2)20(23(28)29)26-19(27)10-16-13(3)15-9-17-18(25(5,6)7)11-31-21(17)14(4)22(15)32-24(16)30/h9,11-12,20H,8,10H2,1-7H3,(H,26,27)(H,28,29)