tert-butyl 4-[5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-ethoxy-phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-ethoxy-phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-[(1,3-dioxoisoindolin-2-yl)methyl]-2-ethoxy-benzoyl]piperazine-1-carboxylate CAS Name: 4-[[5-[(1,3-dioxo-2-isoindolyl)methyl]-2-ethoxyphenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-ethoxy-5-(phthalimidomethyl)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H31N3O6 MolecularWeight: 493.55154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H31N3O6/c1-5-35-22-11-10-18(17-30-24(32)19-8-6-7-9-20(19)25(30)33)16-21(22)23(31)28-12-14-29(15-13-28)26(34)36-27(2,3)4/h6-11,16H,5,12-15,17H2,1-4H3