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

Systemtic Name: (3S)-2-(3-butoxypropyl)-3-(1-methyl-2-phenyl-indol-3-yl)-3H-isoindol-1-one Openeye Name: (3S)-2-(3-butoxypropyl)-3-(1-methyl-2-phenyl-indol-3-yl)isoindolin-1-one CAS Name: (3S)-2-(3-butoxypropyl)-3-(1-methyl-2-phenyl-3-indolyl)-3H-isoindol-1-one IUPAC Name: (3S)-2-(3-butoxypropyl)-3-(1-methyl-2-phenylindol-3-yl)-3H-isoindol-1-one Traditional Name: (3S)-2-(3-butoxypropyl)-3-(1-methyl-2-phenyl-indol-3-yl)isoindolin-1-one Formula: C30H32N2O2 MolecularWeight: 452.58728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCN1C(C2=CC=CC=C2C1=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5

Isomeric SMILES

CCCCOCCCN1[C@@H](C2=CC=CC=C2C1=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5

InChI

InChI=1S/C30H32N2O2/c1-3-4-20-34-21-12-19-32-29(23-15-8-9-16-24(23)30(32)33)27-25-17-10-11-18-26(25)31(2)28(27)22-13-6-5-7-14-22/h5-11,13-18,29H,3-4,12,19-21H2,1-2H3/t29-/m0/s1