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

Systemtic Name: 4-[[2-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(3-benzyl-4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-[[4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(3-benzyl-2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylic acid Formula: C27H29NO6 MolecularWeight: 463.52226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NCC3CCC(CC3)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NCC3CCC(CC3)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C27H29NO6/c1-17-22-12-11-21(14-24(22)34-27(32)23(17)13-18-5-3-2-4-6-18)33-16-25(29)28-15-19-7-9-20(10-8-19)26(30)31/h2-6,11-12,14,19-20H,7-10,13,15-16H2,1H3,(H,28,29)(H,30,31)