3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-[5-methyl-2-oxidanyl-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]propanoic acid

Systemtic Name: 3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-[5-methyl-2-oxidanyl-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]propanoic acid Openeye Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(2-hydroxy-5-methyl-1,3-dioxo-isoindolin-2-ium-2-yl)propanoic acid CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-hydroxy-5-methyl-1,3-dioxo-2-isoindol-2-iumyl)propanoic acid IUPAC Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-hydroxy-5-methyl-1,3-dioxoisoindol-2-ium-2-yl)propanoic acid Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(2-hydroxy-1,3-diketo-5-methyl-isoindolin-2-ium-2-yl)propionic acid Formula: C24H26NO7+ MolecularWeight: 440.46574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)[N+](C2=O)(C(CC(=O)O)C3=CC(=C(C=C3)OC)OC4CCCC4)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)[N+](C2=O)(C(CC(=O)O)C3=CC(=C(C=C3)OC)OC4CCCC4)O

InChI

InChI=1S/C24H25NO7/c1-14-7-9-17-18(11-14)24(29)25(30,23(17)28)19(13-22(26)27)15-8-10-20(31-2)21(12-15)32-16-5-3-4-6-16/h7-12,16,19,30H,3-6,13H2,1-2H3/p+1