1-(4-butyl-2-methyl-3-pyrrolidin-1-yl-phenyl)propan-1-one

Systemtic Name: 1-(4-butyl-2-methyl-3-pyrrolidin-1-yl-phenyl)propan-1-one Openeye Name: 1-(4-butyl-2-methyl-3-pyrrolidin-1-yl-phenyl)propan-1-one CAS Name: 1-[4-butyl-2-methyl-3-(1-pyrrolidinyl)phenyl]-1-propanone IUPAC Name: 1-(4-butyl-2-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one Traditional Name: 1-(4-butyl-2-methyl-3-pyrrolidino-phenyl)propan-1-one Formula: C18H27NO MolecularWeight: 273.41308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C(=O)CC)C)N2CCCC2

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C(=O)CC)C)N2CCCC2

InChI

InChI=1S/C18H27NO/c1-4-6-9-15-10-11-16(17(20)5-2)14(3)18(15)19-12-7-8-13-19/h10-11H,4-9,12-13H2,1-3H3