butyl 4-[2-[2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]ethanoyl]phenyl]heptadecanoate

Systemtic Name: butyl 4-[2-[2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]ethanoyl]phenyl]heptadecanoate Openeye Name: butyl 4-[2-[2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]acetyl]phenyl]heptadecanoate CAS Name: 4-[2-[2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-1-oxoethyl]phenyl]heptadecanoic acid butyl ester IUPAC Name: butyl 4-[2-[2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]acetyl]phenyl]heptadecanoate Traditional Name: 4-[2-[2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]acetyl]phenyl]heptadecanoic acid butyl ester Formula: C41H61N3O5 MolecularWeight: 675.94014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCC(=O)OCCCC)C1=CC=CC=C1C(=O)CN2CC3=CC(=C(C=C3C2=N)C(=O)NC)OCC

Isomeric SMILES

CCCCCCCCCCCCCC(CCC(=O)OCCCC)C1=CC=CC=C1C(=O)CN2CC3=CC(=C(C=C3C2=N)C(=O)NC)OCC

InChI

InChI=1S/C41H61N3O5/c1-5-8-10-11-12-13-14-15-16-17-18-21-31(24-25-39(46)49-26-9-6-2)33-22-19-20-23-34(33)37(45)30-44-29-32-27-38(48-7-3)36(41(47)43-4)28-35(32)40(44)42/h19-20,22-23,27-28,31,42H,5-18,21,24-26,29-30H2,1-4H3,(H,43,47)