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

Systemtic Name: [4-[2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]ethanoyl]-2-tert-butyl-6-ethoxy-phenyl] N-ethylcarbamate hydrobromide Openeye Name: [2-tert-butyl-6-ethoxy-4-[2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]acetyl]phenyl] N-ethylcarbamate hydrobromide CAS Name: N-ethylcarbamic acid [2-tert-butyl-6-ethoxy-4-[2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-1-oxoethyl]phenyl] ester hydrobromide IUPAC Name: [2-tert-butyl-6-ethoxy-4-[2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]acetyl]phenyl] N-ethylcarbamate hydrobromide Traditional Name: N-ethylcarbamic acid [2-tert-butyl-6-ethoxy-4-[2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]acetyl]phenyl] ester hydrobromide Formula: C29H39BrN4O6 MolecularWeight: 619.54716

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)OC1=C(C=C(C=C1OCC)C(=O)CN2CC3=CC(=C(C=C3C2=N)C(=O)NC)OCC)C(C)(C)C.Br

Isomeric SMILES

CCNC(=O)OC1=C(C=C(C=C1OCC)C(=O)CN2CC3=CC(=C(C=C3C2=N)C(=O)NC)OCC)C(C)(C)C.Br

InChI

InChI=1S/C29H38N4O6.BrH/c1-8-32-28(36)39-25-21(29(4,5)6)11-17(12-24(25)38-10-3)22(34)16-33-15-18-13-23(37-9-2)20(27(35)31-7)14-19(18)26(33)30;/h11-14,30H,8-10,15-16H2,1-7H3,(H,31,35)(H,32,36);1H