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

Systemtic Name: 4-[[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propanoylamino]methyl]cyclohexanecarboxylic acid Formula: C22H27NO6 MolecularWeight: 401.45288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NCC3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NCC3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H27NO6/c1-13-17-8-7-16(28-2)11-19(17)29-22(27)18(13)9-10-20(24)23-12-14-3-5-15(6-4-14)21(25)26/h7-8,11,14-15H,3-6,9-10,12H2,1-2H3,(H,23,24)(H,25,26)