4-[[2-methoxy-5-[(E)-3-oxidanylidene-3-(3-pyrrol-1-ylphenyl)prop-1-enyl]phenyl]methoxy]benzenecarbonitrile

Systemtic Name: 4-[[2-methoxy-5-[(E)-3-oxidanylidene-3-(3-pyrrol-1-ylphenyl)prop-1-enyl]phenyl]methoxy]benzenecarbonitrile Openeye Name: 4-[[2-methoxy-5-[(E)-3-oxo-3-(3-pyrrol-1-ylphenyl)prop-1-enyl]phenyl]methoxy]benzonitrile CAS Name: 4-[[2-methoxy-5-[(E)-3-oxo-3-[3-(1-pyrrolyl)phenyl]prop-1-enyl]phenyl]methoxy]benzonitrile IUPAC Name: 4-[[2-methoxy-5-[(E)-3-oxo-3-(3-pyrrol-1-ylphenyl)prop-1-enyl]phenyl]methoxy]benzonitrile Traditional Name: 4-[5-[(E)-3-keto-3-(3-pyrrol-1-ylphenyl)prop-1-enyl]-2-methoxy-benzyl]oxybenzonitrile Formula: C28H22N2O3 MolecularWeight: 434.48588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=CC=C2)N3C=CC=C3)COC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=CC=C2)N3C=CC=C3)COC4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H22N2O3/c1-32-28-14-10-21(17-24(28)20-33-26-11-7-22(19-29)8-12-26)9-13-27(31)23-5-4-6-25(18-23)30-15-2-3-16-30/h2-18H,20H2,1H3/b13-9+