4-[[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(3,4-dimethyl-2-oxo-chromen-7-yl)oxypropanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-(2-keto-3,4-dimethyl-chromen-7-yl)oxypropanoylamino]methyl]cyclohexanecarboxylic acid Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NCC3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NCC3CCC(CC3)C(=O)O)C

InChI

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