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

Systemtic Name: (3S)-3-[2-(3-methoxyphenyl)-1-methyl-indol-3-yl]-2-(3-methylbutyl)-3H-isoindol-1-one Openeye Name: (3S)-2-isopentyl-3-[2-(3-methoxyphenyl)-1-methyl-indol-3-yl]isoindolin-1-one CAS Name: (3S)-3-[2-(3-methoxyphenyl)-1-methyl-3-indolyl]-2-(3-methylbutyl)-3H-isoindol-1-one IUPAC Name: (3S)-3-[2-(3-methoxyphenyl)-1-methylindol-3-yl]-2-(3-methylbutyl)-3H-isoindol-1-one Traditional Name: (3S)-2-isoamyl-3-[2-(3-methoxyphenyl)-1-methyl-indol-3-yl]isoindolin-1-one Formula: C29H30N2O2 MolecularWeight: 438.5607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(C2=CC=CC=C2C1=O)C3=C(N(C4=CC=CC=C43)C)C5=CC(=CC=C5)OC

Isomeric SMILES

CC(C)CCN1[C@@H](C2=CC=CC=C2C1=O)C3=C(N(C4=CC=CC=C43)C)C5=CC(=CC=C5)OC

InChI

InChI=1S/C29H30N2O2/c1-19(2)16-17-31-28(22-12-5-6-13-23(22)29(31)32)26-24-14-7-8-15-25(24)30(3)27(26)20-10-9-11-21(18-20)33-4/h5-15,18-19,28H,16-17H2,1-4H3/t28-/m0/s1