1-[2-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[[2-(3,5-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)acetyl]amino]cyclohexanecarboxylic acid CAS Name: 1-[[2-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[2-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)acetyl]amino]cyclohexanecarboxylic acid Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)NC4(CCCCC4)C(=O)O)C

Isomeric SMILES

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)NC4(CCCCC4)C(=O)O)C

InChI

InChI=1S/C22H23NO6/c1-12-11-28-17-10-18-15(8-14(12)17)13(2)16(20(25)29-18)9-19(24)23-22(21(26)27)6-4-3-5-7-22/h8,10-11H,3-7,9H2,1-2H3,(H,23,24)(H,26,27)