(E)-3-(3H-1,2-benzodioxol-5-yl)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(3H-1,2-benzodioxol-5-yl)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(3H-1,2-benzodioxol-5-yl)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one CAS Name: (E)-3-(3H-1,2-benzodioxol-5-yl)-2-phenyl-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3H-1,2-benzodioxol-5-yl)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(3H-1,2-benzodioxol-5-yl)-2-phenyl-1-[4-(2-pyrrolidinoethoxy)phenyl]prop-2-en-1-one Formula: C28H27NO4 MolecularWeight: 441.51828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C(=O)C(=CC3=CC4=C(C=C3)OOC4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C(=O)/C(=C/C3=CC4=C(C=C3)OOC4)/C5=CC=CC=C5

InChI

InChI=1S/C28H27NO4/c30-28(23-9-11-25(12-10-23)31-17-16-29-14-4-5-15-29)26(22-6-2-1-3-7-22)19-21-8-13-27-24(18-21)20-32-33-27/h1-3,6-13,18-19H,4-5,14-17,20H2/b26-19+