(3S)-2-(3-butoxypropyl)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-3H-isoindol-1-one

Systemtic Name: (3S)-2-(3-butoxypropyl)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-3H-isoindol-1-one Openeye Name: (3S)-2-(3-butoxypropyl)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]isoindolin-1-one CAS Name: (3S)-2-(3-butoxypropyl)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-3H-isoindol-1-one IUPAC Name: (3S)-2-(3-butoxypropyl)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-3H-isoindol-1-one Traditional Name: (3S)-2-(3-butoxypropyl)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]isoindolin-1-one Formula: C29H29ClN2O2 MolecularWeight: 473.00576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29ClN2O2/c1-2-3-18-34-19-8-17-32-28(22-9-4-5-10-23(22)29(32)33)26-24-11-6-7-12-25(24)31-27(26)20-13-15-21(30)16-14-20/h4-7,9-16,28,31H,2-3,8,17-19H2,1H3/t28-/m0/s1