(E)-4-(4-pyrrol-1-ylphenyl)but-3-enoic acid

Systemtic Name: (E)-4-(4-pyrrol-1-ylphenyl)but-3-enoic acid Openeye Name: (E)-4-(4-pyrrol-1-ylphenyl)but-3-enoic acid CAS Name: (E)-4-[4-(1-pyrrolyl)phenyl]-3-butenoic acid IUPAC Name: (E)-4-(4-pyrrol-1-ylphenyl)but-3-enoic acid Traditional Name: (E)-4-(4-pyrrol-1-ylphenyl)but-3-enoic acid Formula: C14H13NO2 MolecularWeight: 227.25852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC=C(C=C2)C=CCC(=O)O

Isomeric SMILES

C1=CN(C=C1)C2=CC=C(C=C2)/C=C/CC(=O)O

InChI

InChI=1S/C14H13NO2/c16-14(17)5-3-4-12-6-8-13(9-7-12)15-10-1-2-11-15/h1-4,6-11H,5H2,(H,16,17)/b4-3+