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

Systemtic Name: [4-[2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]ethanoyl]-2-butyl-phenyl] ethanoate Openeye Name: [2-butyl-4-[2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]acetyl]phenyl] acetate CAS Name: acetic acid [2-butyl-4-[2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-1-oxoethyl]phenyl] ester IUPAC Name: [2-butyl-4-[2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]acetyl]phenyl] acetate Traditional Name: acetic acid [2-butyl-4-[2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]acetyl]phenyl] ester Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)C(=O)CN2CC3=CC(=C(C=C3C2=N)C(=O)NC)OCC)OC(=O)C

Isomeric SMILES

CCCCC1=C(C=CC(=C1)C(=O)CN2CC3=CC(=C(C=C3C2=N)C(=O)NC)OCC)OC(=O)C

InChI

InChI=1S/C26H31N3O5/c1-5-7-8-18-11-17(9-10-23(18)34-16(3)30)22(31)15-29-14-19-12-24(33-6-2)21(26(32)28-4)13-20(19)25(29)27/h9-13,27H,5-8,14-15H2,1-4H3,(H,28,32)