4-[[2-[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl]oxyethanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl]oxyethanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-[[4,7-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-5-yl]oxy]-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(3-benzyl-2-keto-4,7-dimethyl-chromen-5-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylic acid Formula: C28H31NO6 MolecularWeight: 477.54884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC(=O)NCC4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC(=O)NCC4CCC(CC4)C(=O)O

InChI

InChI=1S/C28H31NO6/c1-17-12-23(34-16-25(30)29-15-20-8-10-21(11-9-20)27(31)32)26-18(2)22(28(33)35-24(26)13-17)14-19-6-4-3-5-7-19/h3-7,12-13,20-21H,8-11,14-16H2,1-2H3,(H,29,30)(H,31,32)