2-[1-[4-(4-cyanophenyl)phenyl]pyrrol-3-yl]-4-oxidanylidene-4-phenylmethoxy-butanoic acid

Systemtic Name: 2-[1-[4-(4-cyanophenyl)phenyl]pyrrol-3-yl]-4-oxidanylidene-4-phenylmethoxy-butanoic acid Openeye Name: 4-benzyloxy-2-[1-[4-(4-cyanophenyl)phenyl]pyrrol-3-yl]-4-oxo-butanoic acid CAS Name: 2-[1-[4-(4-cyanophenyl)phenyl]-3-pyrrolyl]-4-oxo-4-phenylmethoxybutanoic acid IUPAC Name: 2-[1-[4-(4-cyanophenyl)phenyl]pyrrol-3-yl]-4-oxo-4-phenylmethoxybutanoic acid Traditional Name: 4-benzoxy-2-[1-[4-(4-cyanophenyl)phenyl]pyrrol-3-yl]-4-keto-butyric acid Formula: C28H22N2O4 MolecularWeight: 450.48528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C2=CN(C=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC(C2=CN(C=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C28H22N2O4/c29-17-20-6-8-22(9-7-20)23-10-12-25(13-11-23)30-15-14-24(18-30)26(28(32)33)16-27(31)34-19-21-4-2-1-3-5-21/h1-15,18,26H,16,19H2,(H,32,33)