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

Systemtic Name: ethyl 1-[3-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]-2-ethanoyl-phenyl]cyclopentane-1-carboxylate Openeye Name: ethyl 1-[2-acetyl-3-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]phenyl]cyclopentanecarboxylate CAS Name: 1-[2-acetyl-3-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]phenyl]-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-acetyl-3-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]phenyl]cyclopentane-1-carboxylate Traditional Name: 1-[2-acetyl-3-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]phenyl]cyclopentanecarboxylic acid ethyl ester Formula: C28H33N3O5 MolecularWeight: 491.57872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=N)C3=CC=CC(=C3C(=O)C)C4(CCCC4)C(=O)OCC)C(=O)NC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CN(C2=N)C3=CC=CC(=C3C(=O)C)C4(CCCC4)C(=O)OCC)C(=O)NC

InChI

InChI=1S/C28H33N3O5/c1-5-35-23-14-18-16-31(25(29)19(18)15-20(23)26(33)30-4)22-11-9-10-21(24(22)17(3)32)28(12-7-8-13-28)27(34)36-6-2/h9-11,14-15,29H,5-8,12-13,16H2,1-4H3,(H,30,33)