4-[[3-(3-tert-butyl-5-methyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[3-(3-tert-butyl-5-methyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[3-(3-tert-butyl-5-methyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[3-(3-tert-butyl-5-methyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[3-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[3-(3-tert-butyl-7-keto-5-methyl-furo[3,2-g]chromen-6-yl)propanoylamino]methyl]cyclohexanecarboxylic acid Formula: C27H33NO6 MolecularWeight: 467.55402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CCC(=O)NCC4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CCC(=O)NCC4CCC(CC4)C(=O)O

InChI

InChI=1S/C27H33NO6/c1-15-18(9-10-24(29)28-13-16-5-7-17(8-6-16)25(30)31)26(32)34-23-12-22-20(11-19(15)23)21(14-33-22)27(2,3)4/h11-12,14,16-17H,5-10,13H2,1-4H3,(H,28,29)(H,30,31)