(3S)-3-[2-(2,5-dimethoxyphenyl)-1-methyl-indol-3-yl]-2-(3-methylbutyl)-3H-isoindol-1-one

Systemtic Name: (3S)-3-[2-(2,5-dimethoxyphenyl)-1-methyl-indol-3-yl]-2-(3-methylbutyl)-3H-isoindol-1-one Openeye Name: (3S)-3-[2-(2,5-dimethoxyphenyl)-1-methyl-indol-3-yl]-2-isopentyl-isoindolin-1-one CAS Name: (3S)-3-[2-(2,5-dimethoxyphenyl)-1-methyl-3-indolyl]-2-(3-methylbutyl)-3H-isoindol-1-one IUPAC Name: (3S)-3-[2-(2,5-dimethoxyphenyl)-1-methylindol-3-yl]-2-(3-methylbutyl)-3H-isoindol-1-one Traditional Name: (3S)-3-[2-(2,5-dimethoxyphenyl)-1-methyl-indol-3-yl]-2-isoamyl-isoindolin-1-one Formula: C30H32N2O3 MolecularWeight: 468.58668

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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=C(C=CC(=C5)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H32N2O3/c1-19(2)16-17-32-29(21-10-6-7-11-22(21)30(32)33)27-23-12-8-9-13-25(23)31(3)28(27)24-18-20(34-4)14-15-26(24)35-5/h6-15,18-19,29H,16-17H2,1-5H3/t29-/m0/s1