3-(2,2-dimethyloxan-4-yl)-4-phenyl-1-pyrrolidin-1-yl-butan-1-one

Systemtic Name: 3-(2,2-dimethyloxan-4-yl)-4-phenyl-1-pyrrolidin-1-yl-butan-1-one Openeye Name: 3-(2,2-dimethyltetrahydropyran-4-yl)-4-phenyl-1-pyrrolidin-1-yl-butan-1-one CAS Name: 3-(2,2-dimethyl-4-oxanyl)-4-phenyl-1-(1-pyrrolidinyl)-1-butanone IUPAC Name: 3-(2,2-dimethyloxan-4-yl)-4-phenyl-1-pyrrolidin-1-ylbutan-1-one Traditional Name: 3-(2,2-dimethyltetrahydropyran-4-yl)-4-phenyl-1-pyrrolidino-butan-1-one Formula: C21H31NO2 MolecularWeight: 329.47634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)C(CC2=CC=CC=C2)CC(=O)N3CCCC3)C

Isomeric SMILES

CC1(CC(CCO1)C(CC2=CC=CC=C2)CC(=O)N3CCCC3)C

InChI

InChI=1S/C21H31NO2/c1-21(2)16-18(10-13-24-21)19(14-17-8-4-3-5-9-17)15-20(23)22-11-6-7-12-22/h3-5,8-9,18-19H,6-7,10-16H2,1-2H3