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

Systemtic Name: 4-[[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(2-oxo-4-phenyl-chromen-7-yl)oxypropanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[1-oxo-2-[(2-oxo-4-phenyl-1-benzopyran-7-yl)oxy]propyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(2-oxo-4-phenylchromen-7-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-(2-keto-4-phenyl-chromen-7-yl)oxypropanoylamino]methyl]cyclohexanecarboxylic acid Formula: C26H27NO6 MolecularWeight: 449.49568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCC(CC1)C(=O)O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCC1CCC(CC1)C(=O)O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4

InChI

InChI=1S/C26H27NO6/c1-16(25(29)27-15-17-7-9-19(10-8-17)26(30)31)32-20-11-12-21-22(18-5-3-2-4-6-18)14-24(28)33-23(21)13-20/h2-6,11-14,16-17,19H,7-10,15H2,1H3,(H,27,29)(H,30,31)