2-[5-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxidanylidene-1H-isoindol-2-yl]ethanoic acid

Systemtic Name: 2-[5-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxidanylidene-1H-isoindol-2-yl]ethanoic acid Openeye Name: 2-[6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-1-oxo-isoindolin-2-yl]acetic acid CAS Name: 2-[5-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3-oxo-1H-isoindol-2-yl]acetic acid IUPAC Name: 2-[5-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]acetic acid Traditional Name: 2-[6-[4-(3,3-diphenylpropyl)piperazino]-1-keto-isoindolin-2-yl]acetic acid Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC5=C(CN(C5=O)CC(=O)O)C=C4

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC5=C(CN(C5=O)CC(=O)O)C=C4

InChI

InChI=1S/C29H31N3O3/c33-28(34)21-32-20-24-11-12-25(19-27(24)29(32)35)31-17-15-30(16-18-31)14-13-26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-12,19,26H,13-18,20-21H2,(H,33,34)