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

Systemtic Name: 3-azanylidene-2-(3-cyclohexyl-5-methyl-4-oxidanyl-phenyl)-6-ethoxy-1-ethyl-2-oxidanidyl-1H-isoindol-2-ium-5-carboxylic acid Openeye Name: 2-(3-cyclohexyl-4-hydroxy-5-methyl-phenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-isoindolin-2-ium-5-carboxylic acid CAS Name: 2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-1H-isoindol-2-ium-5-carboxylic acid IUPAC Name: 2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-1H-isoindol-2-ium-5-carboxylic acid Traditional Name: 2-(3-cyclohexyl-4-hydroxy-5-methyl-phenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-isoindolin-2-ium-5-carboxylic acid Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC(=C(C=C2C(=N)[N+]1(C3=CC(=C(C(=C3)C4CCCCC4)O)C)[O-])C(=O)O)OCC

Isomeric SMILES

CCC1C2=CC(=C(C=C2C(=N)[N+]1(C3=CC(=C(C(=C3)C4CCCCC4)O)C)[O-])C(=O)O)OCC

InChI

InChI=1S/C26H32N2O5/c1-4-22-19-14-23(33-5-2)21(26(30)31)13-20(19)25(27)28(22,32)17-11-15(3)24(29)18(12-17)16-9-7-6-8-10-16/h11-14,16,22,27,29H,4-10H2,1-3H3,(H,30,31)