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

Systemtic Name: 4-[[2-(8-methyl-2-oxidanylidene-4-phenyl-chromen-7-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(8-methyl-2-oxo-4-phenyl-chromen-7-yl)oxypropanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-[(8-methyl-2-oxo-4-phenyl-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-(2-keto-8-methyl-4-phenyl-chromen-7-yl)oxypropanoylamino]methyl]cyclohexanecarboxylic acid Formula: C27H29NO6 MolecularWeight: 463.52226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OC(C)C(=O)NCC4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OC(C)C(=O)NCC4CCC(CC4)C(=O)O

InChI

InChI=1S/C27H29NO6/c1-16-23(33-17(2)26(30)28-15-18-8-10-20(11-9-18)27(31)32)13-12-21-22(14-24(29)34-25(16)21)19-6-4-3-5-7-19/h3-7,12-14,17-18,20H,8-11,15H2,1-2H3,(H,28,30)(H,31,32)