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

Systemtic Name: (3R)-2-butyl-3-[2-(2,5-dimethoxyphenyl)-1-methyl-indol-3-yl]-3H-isoindol-1-one Openeye Name: (3R)-2-butyl-3-[2-(2,5-dimethoxyphenyl)-1-methyl-indol-3-yl]isoindolin-1-one CAS Name: (3R)-2-butyl-3-[2-(2,5-dimethoxyphenyl)-1-methyl-3-indolyl]-3H-isoindol-1-one IUPAC Name: (3R)-2-butyl-3-[2-(2,5-dimethoxyphenyl)-1-methylindol-3-yl]-3H-isoindol-1-one Traditional Name: (3R)-2-butyl-3-[2-(2,5-dimethoxyphenyl)-1-methyl-indol-3-yl]isoindolin-1-one Formula: C29H30N2O3 MolecularWeight: 454.5601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C2=CC=CC=C2C1=O)C3=C(N(C4=CC=CC=C43)C)C5=C(C=CC(=C5)OC)OC

Isomeric SMILES

CCCCN1[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/C29H30N2O3/c1-5-6-17-31-28(20-11-7-8-12-21(20)29(31)32)26-22-13-9-10-14-24(22)30(2)27(26)23-18-19(33-3)15-16-25(23)34-4/h7-16,18,28H,5-6,17H2,1-4H3/t28-/m1/s1