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

Systemtic Name: 4-[[2-(4,7-dimethyl-2-oxidanylidene-chromen-5-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(4,7-dimethyl-2-oxo-chromen-5-yl)oxypropanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-[(4,7-dimethyl-2-oxo-1-benzopyran-5-yl)oxy]-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-(2-keto-4,7-dimethyl-chromen-5-yl)oxypropanoylamino]methyl]cyclohexanecarboxylic acid Formula: C22H27NO6 MolecularWeight: 401.45288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OC(C)C(=O)NCC3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OC(C)C(=O)NCC3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H27NO6/c1-12-8-17(20-13(2)10-19(24)29-18(20)9-12)28-14(3)21(25)23-11-15-4-6-16(7-5-15)22(26)27/h8-10,14-16H,4-7,11H2,1-3H3,(H,23,25)(H,26,27)