(E)-3-(4-bromophenyl)-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-bromophenyl)-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-bromophenyl)-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-bromophenyl)-1-[2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-bromophenyl)-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-bromophenyl)-1-[2-(2,4-dimethoxyphenyl)pyrrolidino]prop-2-en-1-one Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2C(=O)C=CC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2CCCN2C(=O)/C=C/C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C21H22BrNO3/c1-25-17-10-11-18(20(14-17)26-2)19-4-3-13-23(19)21(24)12-7-15-5-8-16(22)9-6-15/h5-12,14,19H,3-4,13H2,1-2H3/b12-7+