2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]-2-ethanoyl-1-phenyl-cyclopentane-1-carboxylic acid

Systemtic Name: 2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]-2-ethanoyl-1-phenyl-cyclopentane-1-carboxylic acid Openeye Name: 2-acetyl-2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]-1-phenyl-cyclopentanecarboxylic acid CAS Name: 2-acetyl-2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-1-phenyl-1-cyclopentanecarboxylic acid IUPAC Name: 2-acetyl-2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-1-phenylcyclopentane-1-carboxylic acid Traditional Name: 2-acetyl-2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]-1-phenyl-cyclopentanecarboxylic acid Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=N)C3(CCCC3(C4=CC=CC=C4)C(=O)O)C(=O)C)C(=O)NC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CN(C2=N)C3(CCCC3(C4=CC=CC=C4)C(=O)O)C(=O)C)C(=O)NC

InChI

InChI=1S/C26H29N3O5/c1-4-34-21-13-17-15-29(22(27)19(17)14-20(21)23(31)28-3)26(16(2)30)12-8-11-25(26,24(32)33)18-9-6-5-7-10-18/h5-7,9-10,13-14,27H,4,8,11-12,15H2,1-3H3,(H,28,31)(H,32,33)