5-(4-methyl-3-pyrrolidin-1-yl-phenyl)oxan-2-one

Systemtic Name: 5-(4-methyl-3-pyrrolidin-1-yl-phenyl)oxan-2-one Openeye Name: 5-(4-methyl-3-pyrrolidin-1-yl-phenyl)tetrahydropyran-2-one CAS Name: 5-[4-methyl-3-(1-pyrrolidinyl)phenyl]-2-oxanone IUPAC Name: 5-(4-methyl-3-pyrrolidin-1-ylphenyl)oxan-2-one Traditional Name: 5-(4-methyl-3-pyrrolidino-phenyl)tetrahydropyran-2-one Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2CCC(=O)OC2)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C2CCC(=O)OC2)N3CCCC3

InChI

InChI=1S/C16H21NO2/c1-12-4-5-13(14-6-7-16(18)19-11-14)10-15(12)17-8-2-3-9-17/h4-5,10,14H,2-3,6-9,11H2,1H3