3-azanylidene-2-(3-cyclopentyl-5-methyl-4-oxidanyl-phenyl)-6-ethoxy-1-ethyl-2-oxidanidyl-1H-isoindol-2-ium-5-carboxylic acid

Systemtic Name: 3-azanylidene-2-(3-cyclopentyl-5-methyl-4-oxidanyl-phenyl)-6-ethoxy-1-ethyl-2-oxidanidyl-1H-isoindol-2-ium-5-carboxylic acid Openeye Name: 2-(3-cyclopentyl-4-hydroxy-5-methyl-phenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-isoindolin-2-ium-5-carboxylic acid CAS Name: 2-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-1H-isoindol-2-ium-5-carboxylic acid IUPAC Name: 2-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-1H-isoindol-2-ium-5-carboxylic acid Traditional Name: 2-(3-cyclopentyl-4-hydroxy-5-methyl-phenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-isoindolin-2-ium-5-carboxylic acid Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC(=C(C=C2C(=N)[N+]1(C3=CC(=C(C(=C3)C4CCCC4)O)C)[O-])C(=O)O)OCC

Isomeric SMILES

CCC1C2=CC(=C(C=C2C(=N)[N+]1(C3=CC(=C(C(=C3)C4CCCC4)O)C)[O-])C(=O)O)OCC

InChI

InChI=1S/C25H30N2O5/c1-4-21-18-13-22(32-5-2)20(25(29)30)12-19(18)24(26)27(21,31)16-10-14(3)23(28)17(11-16)15-8-6-7-9-15/h10-13,15,21,26,28H,4-9H2,1-3H3,(H,29,30)