4-[[2-(4-ethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(4-ethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(4-ethyl-2-oxo-chromen-7-yl)oxypropanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-[(4-ethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-(4-ethyl-2-keto-chromen-7-yl)oxypropanoylamino]methyl]cyclohexanecarboxylic acid Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NCC3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NCC3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H27NO6/c1-3-15-10-20(24)29-19-11-17(8-9-18(15)19)28-13(2)21(25)23-12-14-4-6-16(7-5-14)22(26)27/h8-11,13-14,16H,3-7,12H2,1-2H3,(H,23,25)(H,26,27)