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

Systemtic Name: 3-azanylidene-2-(3-cyclopentyl-5-ethyl-4-oxidanyl-phenyl)-6-ethoxy-1-ethyl-2-oxidanidyl-1H-isoindol-2-ium-5-carboxylic acid Openeye Name: 2-(3-cyclopentyl-5-ethyl-4-hydroxy-phenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-isoindolin-2-ium-5-carboxylic acid CAS Name: 2-(3-cyclopentyl-5-ethyl-4-hydroxyphenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-1H-isoindol-2-ium-5-carboxylic acid IUPAC Name: 2-(3-cyclopentyl-5-ethyl-4-hydroxyphenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-1H-isoindol-2-ium-5-carboxylic acid Traditional Name: 2-(3-cyclopentyl-5-ethyl-4-hydroxy-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)C4CCCC4)O)CC)[O-])C(=O)O)OCC

Isomeric SMILES

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

InChI

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