(E)-2-[7-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-oxidanylidene-1-piperidin-4-yl-isoindol-2-yl]but-2-enedioic acid

Systemtic Name: (E)-2-[7-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-oxidanylidene-1-piperidin-4-yl-isoindol-2-yl]but-2-enedioic acid Openeye Name: (E)-2-[7-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-oxo-1-(4-piperidyl)isoindolin-2-yl]but-2-enedioic acid CAS Name: (E)-2-[7-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-oxo-1-(4-piperidinyl)-2-isoindolyl]-2-butenedioic acid IUPAC Name: (E)-2-[7-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-oxo-1-piperidin-4-ylisoindol-2-yl]but-2-enedioic acid Traditional Name: (E)-2-[7-[2-(1H-indol-3-yl)ethyl]-3-keto-1-methyl-1-(4-piperidyl)isoindolin-2-yl]but-2-enedioic acid Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC=C2CCC3=CNC4=CC=CC=C43)C(=O)N1C(=CC(=O)O)C(=O)O)C5CCNCC5

Isomeric SMILES

CC1(C2=C(C=CC=C2CCC3=CNC4=CC=CC=C43)C(=O)N1/C(=C/C(=O)O)/C(=O)O)C5CCNCC5

InChI

InChI=1S/C28H29N3O5/c1-28(19-11-13-29-14-12-19)25-17(9-10-18-16-30-22-8-3-2-6-20(18)22)5-4-7-21(25)26(34)31(28)23(27(35)36)15-24(32)33/h2-8,15-16,19,29-30H,9-14H2,1H3,(H,32,33)(H,35,36)/b23-15+