4-[[2-(6-ethyl-2-oxidanylidene-4-phenyl-chromen-7-yl)oxyethanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(6-ethyl-2-oxidanylidene-4-phenyl-chromen-7-yl)oxyethanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(6-ethyl-2-oxo-4-phenyl-chromen-7-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-[(6-ethyl-2-oxo-4-phenyl-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(6-ethyl-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(6-ethyl-2-keto-4-phenyl-chromen-7-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylic acid Formula: C27H29NO6 MolecularWeight: 463.52226

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCC(=O)NCC4CCC(CC4)C(=O)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCC(=O)NCC4CCC(CC4)C(=O)O

InChI

InChI=1S/C27H29NO6/c1-2-18-12-22-21(19-6-4-3-5-7-19)13-26(30)34-24(22)14-23(18)33-16-25(29)28-15-17-8-10-20(11-9-17)27(31)32/h3-7,12-14,17,20H,2,8-11,15-16H2,1H3,(H,28,29)(H,31,32)