(3S)-3-[2-(3-methoxyphenyl)-1H-indol-3-yl]-2-(3-methylbutyl)-3H-isoindol-1-one

Systemtic Name: (3S)-3-[2-(3-methoxyphenyl)-1H-indol-3-yl]-2-(3-methylbutyl)-3H-isoindol-1-one Openeye Name: (3S)-2-isopentyl-3-[2-(3-methoxyphenyl)-1H-indol-3-yl]isoindolin-1-one CAS Name: (3S)-3-[2-(3-methoxyphenyl)-1H-indol-3-yl]-2-(3-methylbutyl)-3H-isoindol-1-one IUPAC Name: (3S)-3-[2-(3-methoxyphenyl)-1H-indol-3-yl]-2-(3-methylbutyl)-3H-isoindol-1-one Traditional Name: (3S)-2-isoamyl-3-[2-(3-methoxyphenyl)-1H-indol-3-yl]isoindolin-1-one Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(C2=CC=CC=C2C1=O)C3=C(NC4=CC=CC=C43)C5=CC(=CC=C5)OC

Isomeric SMILES

CC(C)CCN1[C@@H](C2=CC=CC=C2C1=O)C3=C(NC4=CC=CC=C43)C5=CC(=CC=C5)OC

InChI

InChI=1S/C28H28N2O2/c1-18(2)15-16-30-27(21-11-4-5-12-22(21)28(30)31)25-23-13-6-7-14-24(23)29-26(25)19-9-8-10-20(17-19)32-3/h4-14,17-18,27,29H,15-16H2,1-3H3/t27-/m0/s1