(E)-3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxy-phenyl]-1-(4-pyrrol-1-ylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxy-phenyl]-1-(4-pyrrol-1-ylphenyl)prop-2-en-1-one Openeye Name: (E)-3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxy-phenyl]-1-(4-pyrrol-1-ylphenyl)prop-2-en-1-one CAS Name: (E)-3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxyphenyl]-1-[4-(1-pyrrolyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxyphenyl]-1-(4-pyrrol-1-ylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxy-phenyl]-1-(4-pyrrol-1-ylphenyl)prop-2-en-1-one Formula: C28H23NO5 MolecularWeight: 453.48592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)N3C=CC=C3)COC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)N3C=CC=C3)COC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H23NO5/c1-31-26-12-5-20(16-22(26)18-32-24-10-13-27-28(17-24)34-19-33-27)4-11-25(30)21-6-8-23(9-7-21)29-14-2-3-15-29/h2-17H,18-19H2,1H3/b11-4+