(3S)-2-(3-butoxypropyl)-3-(2-phenyl-1H-indol-3-yl)-3H-isoindol-1-one

Systemtic Name: (3S)-2-(3-butoxypropyl)-3-(2-phenyl-1H-indol-3-yl)-3H-isoindol-1-one Openeye Name: (3S)-2-(3-butoxypropyl)-3-(2-phenyl-1H-indol-3-yl)isoindolin-1-one CAS Name: (3S)-2-(3-butoxypropyl)-3-(2-phenyl-1H-indol-3-yl)-3H-isoindol-1-one IUPAC Name: (3S)-2-(3-butoxypropyl)-3-(2-phenyl-1H-indol-3-yl)-3H-isoindol-1-one Traditional Name: (3S)-2-(3-butoxypropyl)-3-(2-phenyl-1H-indol-3-yl)isoindolin-1-one Formula: C29H30N2O2 MolecularWeight: 438.5607

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCN1C(C2=CC=CC=C2C1=O)C3=C(NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCCCOCCCN1[C@@H](C2=CC=CC=C2C1=O)C3=C(NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C29H30N2O2/c1-2-3-19-33-20-11-18-31-28(22-14-7-8-15-23(22)29(31)32)26-24-16-9-10-17-25(24)30-27(26)21-12-5-4-6-13-21/h4-10,12-17,28,30H,2-3,11,18-20H2,1H3/t28-/m0/s1