(E)-2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]-4,4-dimethyl-5-oxidanylidene-3-phenyl-hex-2-enoic acid

Systemtic Name: (E)-2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]-4,4-dimethyl-5-oxidanylidene-3-phenyl-hex-2-enoic acid Openeye Name: (E)-2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]-4,4-dimethyl-5-oxo-3-phenyl-hex-2-enoic acid CAS Name: (E)-2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-4,4-dimethyl-5-oxo-3-phenyl-2-hexenoic acid IUPAC Name: (E)-2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-4,4-dimethyl-5-oxo-3-phenylhex-2-enoic acid Traditional Name: (E)-2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]-5-keto-4,4-dimethyl-3-phenyl-hex-2-enoic acid Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=N)C(=C(C3=CC=CC=C3)C(C)(C)C(=O)C)C(=O)O)C(=O)NC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CN(C2=N)/C(=C(\C3=CC=CC=C3)/C(C)(C)C(=O)C)/C(=O)O)C(=O)NC

InChI

InChI=1S/C26H29N3O5/c1-6-34-20-12-17-14-29(23(27)18(17)13-19(20)24(31)28-5)22(25(32)33)21(26(3,4)15(2)30)16-10-8-7-9-11-16/h7-13,27H,6,14H2,1-5H3,(H,28,31)(H,32,33)/b22-21+,27-23?