methyl (2S)-1-[1-[2-cyclooctyl-1,3-bis(oxidanylidene)isoindol-4-yl]piperidin-4-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[1-[2-cyclooctyl-1,3-bis(oxidanylidene)isoindol-4-yl]piperidin-4-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[1-(2-cyclooctyl-1,3-dioxo-isoindolin-4-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[1-(2-cyclooctyl-1,3-dioxo-4-isoindolyl)-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[1-(2-cyclooctyl-1,3-dioxoisoindol-4-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[1-(2-cyclooctyl-1,3-diketo-isoindolin-4-yl)isonipecotoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C28H37N3O5 MolecularWeight: 495.61048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)C5CCCCCCC5

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)C5CCCCCCC5

InChI

InChI=1S/C28H37N3O5/c1-36-28(35)23-13-8-16-30(23)25(32)19-14-17-29(18-15-19)22-12-7-11-21-24(22)27(34)31(26(21)33)20-9-5-3-2-4-6-10-20/h7,11-12,19-20,23H,2-6,8-10,13-18H2,1H3/t23-/m0/s1