(phenylmethyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(4-phenylpiperazin-1-yl)butanoate

Systemtic Name: (phenylmethyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(4-phenylpiperazin-1-yl)butanoate Openeye Name: benzyl 4-(1,3-dioxoisoindolin-2-yl)-2-(4-phenylpiperazin-1-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)-2-(4-phenyl-1-piperazinyl)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(1,3-dioxoisoindol-2-yl)-2-(4-phenylpiperazin-1-yl)butanoate Traditional Name: 2-(4-phenylpiperazino)-4-phthalimido-butyric acid benzyl ester Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(CCN3C(=O)C4=CC=CC=C4C3=O)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(CCN3C(=O)C4=CC=CC=C4C3=O)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O4/c33-27-24-13-7-8-14-25(24)28(34)32(27)16-15-26(29(35)36-21-22-9-3-1-4-10-22)31-19-17-30(18-20-31)23-11-5-2-6-12-23/h1-14,26H,15-21H2