ethyl 4-[3-[[3-oxidanylidene-2-(oxolan-2-ylmethyl)-1H-isoindol-1-yl]amino]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[[3-oxidanylidene-2-(oxolan-2-ylmethyl)-1H-isoindol-1-yl]amino]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-[[3-oxo-2-(tetrahydrofuran-2-ylmethyl)isoindolin-1-yl]amino]benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[3-[[3-oxo-2-(2-oxolanylmethyl)-1H-isoindol-1-yl]amino]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[[3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindol-1-yl]amino]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[3-keto-2-(tetrahydrofurfuryl)isoindolin-1-yl]amino]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)NC3C4=CC=CC=C4C(=O)N3CC5CCCO5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)NC3C4=CC=CC=C4C(=O)N3CC5CCCO5

InChI

InChI=1S/C27H32N4O5/c1-2-35-27(34)30-14-12-29(13-15-30)25(32)19-7-5-8-20(17-19)28-24-22-10-3-4-11-23(22)26(33)31(24)18-21-9-6-16-36-21/h3-5,7-8,10-11,17,21,24,28H,2,6,9,12-16,18H2,1H3