(E)-1-[3,5-dimethyl-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-3-(2-methylphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[3,5-dimethyl-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-3-(2-methylphenyl)prop-2-en-1-one Openeye Name: (E)-1-[3,5-dimethyl-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-3-(o-tolyl)prop-2-en-1-one CAS Name: (E)-1-[3,5-dimethyl-4-[3-(1-pyrrolidinyl)propoxy]phenyl]-3-(2-methylphenyl)-2-propen-1-one IUPAC Name: (E)-1-[3,5-dimethyl-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-3-(2-methylphenyl)prop-2-en-1-one Traditional Name: (E)-1-[3,5-dimethyl-4-(3-pyrrolidinopropoxy)phenyl]-3-(o-tolyl)prop-2-en-1-one Formula: C25H31NO2 MolecularWeight: 377.51914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)C2=CC(=C(C(=C2)C)OCCCN3CCCC3)C

Isomeric SMILES

CC1=CC=CC=C1/C=C/C(=O)C2=CC(=C(C(=C2)C)OCCCN3CCCC3)C

InChI

InChI=1S/C25H31NO2/c1-19-9-4-5-10-22(19)11-12-24(27)23-17-20(2)25(21(3)18-23)28-16-8-15-26-13-6-7-14-26/h4-5,9-12,17-18H,6-8,13-16H2,1-3H3/b12-11+