[2-oxidanyl-5-[3,5,7-tris(oxidanyl)-4-oxidanylidene-chromen-2-yl]phenyl] 4-azanylcyclohexane-1-carboxylate

Systemtic Name: [2-oxidanyl-5-[3,5,7-tris(oxidanyl)-4-oxidanylidene-chromen-2-yl]phenyl] 4-azanylcyclohexane-1-carboxylate Openeye Name: [2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-chromen-2-yl)phenyl] 4-aminocyclohexanecarboxylate CAS Name: 4-amino-1-cyclohexanecarboxylic acid [2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-1-benzopyran-2-yl)phenyl] ester IUPAC Name: [2-hydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenyl] 4-aminocyclohexane-1-carboxylate Traditional Name: 4-aminocyclohexanecarboxylic acid [2-hydroxy-5-(3,5,7-trihydroxy-4-keto-chromen-2-yl)phenyl] ester Formula: C22H21NO8 MolecularWeight: 427.40404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)OC2=C(C=CC(=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O)O)N

Isomeric SMILES

C1CC(CCC1C(=O)OC2=C(C=CC(=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O)O)N

InChI

InChI=1S/C22H21NO8/c23-12-4-1-10(2-5-12)22(29)31-16-7-11(3-6-14(16)25)21-20(28)19(27)18-15(26)8-13(24)9-17(18)30-21/h3,6-10,12,24-26,28H,1-2,4-5,23H2