4-[[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(4-butyl-8-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-[(4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-(4-butyl-2-keto-8-methyl-chromen-7-yl)oxypropanoylamino]methyl]cyclohexanecarboxylic acid Formula: C25H33NO6 MolecularWeight: 443.53262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NCC3CCC(CC3)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NCC3CCC(CC3)C(=O)O

InChI

InChI=1S/C25H33NO6/c1-4-5-6-19-13-22(27)32-23-15(2)21(12-11-20(19)23)31-16(3)24(28)26-14-17-7-9-18(10-8-17)25(29)30/h11-13,16-18H,4-10,14H2,1-3H3,(H,26,28)(H,29,30)