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

Systemtic Name: 4-[[2-(6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(6-chloro-2-oxo-4-propyl-chromen-7-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-[(6-chloro-2-oxo-4-propyl-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(6-chloro-2-keto-4-propyl-chromen-7-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylic acid Formula: C22H26ClNO6 MolecularWeight: 435.89794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)NCC3CCC(CC3)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)NCC3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H26ClNO6/c1-2-3-15-8-21(26)30-18-10-19(17(23)9-16(15)18)29-12-20(25)24-11-13-4-6-14(7-5-13)22(27)28/h8-10,13-14H,2-7,11-12H2,1H3,(H,24,25)(H,27,28)