ethyl (E)-4-[3-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]-2-ethanoyl-phenyl]-4-methyl-pent-2-enoate hydrobromide

Systemtic Name: ethyl (E)-4-[3-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]-2-ethanoyl-phenyl]-4-methyl-pent-2-enoate hydrobromide Openeye Name: ethyl (E)-4-[2-acetyl-3-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]phenyl]-4-methyl-pent-2-enoate hydrobromide CAS Name: (E)-4-[2-acetyl-3-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]phenyl]-4-methyl-2-pentenoic acid ethyl ester hydrobromide IUPAC Name: ethyl (E)-4-[2-acetyl-3-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]phenyl]-4-methylpent-2-enoate hydrobromide Traditional Name: (E)-4-[2-acetyl-3-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]phenyl]-4-methyl-pent-2-enoic acid ethyl ester hydrobromide Formula: C28H34BrN3O5 MolecularWeight: 572.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CN(C2=N)C3=CC=CC(=C3C(=O)C)C(C)(C)/C=C/C(=O)OCC)C(=O)NC.Br

InChI

InChI=1S/C28H33N3O5.BrH/c1-7-35-23-14-18-16-31(26(29)19(18)15-20(23)27(34)30-6)22-11-9-10-21(25(22)17(3)32)28(4,5)13-12-24(33)36-8-2;/h9-15,29H,7-8,16H2,1-6H3,(H,30,34);1H/b13-12+,29-26?;