(2R)-4-butyl-2-[[3-(2-hydroxyethyl)indol-1-yl]methyl]-2,5-dimethyl-cyclopent-4-ene-1,3-dione

Systemtic Name: (2R)-4-butyl-2-[[3-(2-hydroxyethyl)indol-1-yl]methyl]-2,5-dimethyl-cyclopent-4-ene-1,3-dione Openeye Name: (2R)-4-butyl-2-[[3-(2-hydroxyethyl)indol-1-yl]methyl]-2,5-dimethyl-cyclopent-4-ene-1,3-dione CAS Name: (2R)-4-butyl-2-[[3-(2-hydroxyethyl)-1-indolyl]methyl]-2,5-dimethylcyclopent-4-ene-1,3-dione IUPAC Name: (2R)-4-butyl-2-[[3-(2-hydroxyethyl)indol-1-yl]methyl]-2,5-dimethylcyclopent-4-ene-1,3-dione Traditional Name: (2R)-4-butyl-2-[[3-(2-hydroxyethyl)indol-1-yl]methyl]-2,5-dimethyl-cyclopent-4-ene-1,3-quinone Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C(C1=O)(C)CN2C=C(C3=CC=CC=C32)CCO)C

Isomeric SMILES

CCCCC1=C(C(=O)[C@@](C1=O)(C)CN2C=C(C3=CC=CC=C32)CCO)C

InChI

InChI=1S/C22H27NO3/c1-4-5-8-17-15(2)20(25)22(3,21(17)26)14-23-13-16(11-12-24)18-9-6-7-10-19(18)23/h6-7,9-10,13,24H,4-5,8,11-12,14H2,1-3H3/t22-/m1/s1