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

Systemtic Name: ethyl (3S)-1-[1-[2-cyclooctyl-1,3-bis(oxidanylidene)isoindol-4-yl]piperidin-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[1-(2-cyclooctyl-1,3-dioxo-isoindolin-4-yl)piperidine-4-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[1-(2-cyclooctyl-1,3-dioxo-4-isoindolyl)-4-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[1-(2-cyclooctyl-1,3-dioxoisoindol-4-yl)piperidine-4-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[1-(2-cyclooctyl-1,3-diketo-isoindolin-4-yl)isonipecotoyl]nipecotic acid ethyl ester Formula: C30H41N3O5 MolecularWeight: 523.66364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)C5CCCCCCC5

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)C5CCCCCCC5

InChI

InChI=1S/C30H41N3O5/c1-2-38-30(37)22-10-9-17-32(20-22)27(34)21-15-18-31(19-16-21)25-14-8-13-24-26(25)29(36)33(28(24)35)23-11-6-4-3-5-7-12-23/h8,13-14,21-23H,2-7,9-12,15-20H2,1H3/t22-/m0/s1