4-[5-cyano-1-(phenylmethyl)pyrrol-3-yl]benzoic acid

Systemtic Name: 4-[5-cyano-1-(phenylmethyl)pyrrol-3-yl]benzoic acid Openeye Name: 4-(1-benzyl-5-cyano-pyrrol-3-yl)benzoic acid CAS Name: 4-[5-cyano-1-(phenylmethyl)-3-pyrrolyl]benzoic acid IUPAC Name: 4-(1-benzyl-5-cyanopyrrol-3-yl)benzoic acid Traditional Name: 4-(1-benzyl-5-cyano-pyrrol-3-yl)benzoic acid Formula: C19H14N2O2 MolecularWeight: 302.32666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=C2C#N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=C2C#N)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H14N2O2/c20-11-18-10-17(15-6-8-16(9-7-15)19(22)23)13-21(18)12-14-4-2-1-3-5-14/h1-10,13H,12H2,(H,22,23)