2-[(3S)-3-[bis(phenylmethyl)amino]-4-oxidanyl-butyl]isoindole-1,3-dione

Systemtic Name: 2-[(3S)-3-[bis(phenylmethyl)amino]-4-oxidanyl-butyl]isoindole-1,3-dione Openeye Name: 2-[(3S)-3-(dibenzylamino)-4-hydroxy-butyl]isoindoline-1,3-dione CAS Name: 2-[(3S)-3-[bis(phenylmethyl)amino]-4-hydroxybutyl]isoindole-1,3-dione IUPAC Name: 2-[(3S)-3-(dibenzylamino)-4-hydroxybutyl]isoindole-1,3-dione Traditional Name: 2-[(3S)-3-(dibenzylamino)-4-hydroxy-butyl]isoindoline-1,3-quinone Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(CCN3C(=O)C4=CC=CC=C4C3=O)CO

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)[C@@H](CCN3C(=O)C4=CC=CC=C4C3=O)CO

InChI

InChI=1S/C26H26N2O3/c29-19-22(15-16-28-25(30)23-13-7-8-14-24(23)26(28)31)27(17-20-9-3-1-4-10-20)18-21-11-5-2-6-12-21/h1-14,22,29H,15-19H2/t22-/m0/s1