4-[[2-(7-methoxy-8-methyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(7-methoxy-8-methyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(7-methoxy-8-methyl-2-oxo-chromen-4-yl)acetyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-(7-methoxy-8-methyl-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(7-methoxy-8-methyl-2-oxochromen-4-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(2-keto-7-methoxy-8-methyl-chromen-4-yl)acetyl]amino]methyl]cyclohexanecarboxylic acid Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)NCC3CCC(CC3)C(=O)O)OC

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)NCC3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C21H25NO6/c1-12-17(27-2)8-7-16-15(10-19(24)28-20(12)16)9-18(23)22-11-13-3-5-14(6-4-13)21(25)26/h7-8,10,13-14H,3-6,9,11H2,1-2H3,(H,22,23)(H,25,26)