tert-butyl 4-[2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-1H-isoindol-5-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-1H-isoindol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(4-methoxyphenyl)methyl]-3-oxo-isoindolin-5-yl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindol-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindol-5-yl]piperazine-1-carboxylate Traditional Name: 4-(3-keto-2-p-anisyl-isoindolin-5-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(CN(C3=O)CC4=CC=C(C=C4)OC)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(CN(C3=O)CC4=CC=C(C=C4)OC)C=C2

InChI

InChI=1S/C25H31N3O4/c1-25(2,3)32-24(30)27-13-11-26(12-14-27)20-8-7-19-17-28(23(29)22(19)15-20)16-18-5-9-21(31-4)10-6-18/h5-10,15H,11-14,16-17H2,1-4H3