1-[3-[2-ethyl-5-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]butan-1-one

Systemtic Name: 1-[3-[2-ethyl-5-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]butan-1-one Openeye Name: 1-[3-[2-ethyl-5-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]butan-1-one CAS Name: 1-[3-[2-ethyl-5-methyl-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]phenyl]-1-butanone IUPAC Name: 1-[3-[2-ethyl-5-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]butan-1-one Traditional Name: 1-[3-[2-ethyl-5-methyl-4-(2-pyrrolidinoethoxy)phenyl]phenyl]butan-1-one Formula: C25H33NO2 MolecularWeight: 379.53502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2CC)OCCN3CCCC3)C

Isomeric SMILES

CCCC(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2CC)OCCN3CCCC3)C

InChI

InChI=1S/C25H33NO2/c1-4-9-24(27)22-11-8-10-21(17-22)23-16-19(3)25(18-20(23)5-2)28-15-14-26-12-6-7-13-26/h8,10-11,16-18H,4-7,9,12-15H2,1-3H3