2-[1-[4-(4-cyanophenyl)phenyl]pyrrol-3-yl]butanedioic acid

Systemtic Name: 2-[1-[4-(4-cyanophenyl)phenyl]pyrrol-3-yl]butanedioic acid Openeye Name: 2-[1-[4-(4-cyanophenyl)phenyl]pyrrol-3-yl]butanedioic acid CAS Name: 2-[1-[4-(4-cyanophenyl)phenyl]-3-pyrrolyl]butanedioic acid IUPAC Name: 2-[1-[4-(4-cyanophenyl)phenyl]pyrrol-3-yl]butanedioic acid Traditional Name: 2-[1-[4-(4-cyanophenyl)phenyl]pyrrol-3-yl]succinic acid Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)N3C=CC(=C3)C(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)N3C=CC(=C3)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C21H16N2O4/c22-12-14-1-3-15(4-2-14)16-5-7-18(8-6-16)23-10-9-17(13-23)19(21(26)27)11-20(24)25/h1-10,13,19H,11H2,(H,24,25)(H,26,27)