4-[1-cyano-2-(2-methoxy-4-pyrrolidin-1-yl-phenyl)ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-(2-methoxy-4-pyrrolidin-1-yl-phenyl)ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-(2-methoxy-4-pyrrolidin-1-yl-phenyl)vinyl]benzoic acid CAS Name: 4-[1-cyano-2-[2-methoxy-4-(1-pyrrolidinyl)phenyl]ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-(2-methoxy-4-pyrrolidin-1-ylphenyl)ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-(2-methoxy-4-pyrrolidino-phenyl)vinyl]benzoic acid Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2CCCC2)C=C(C#N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)N2CCCC2)C=C(C#N)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H20N2O3/c1-26-20-13-19(23-10-2-3-11-23)9-8-17(20)12-18(14-22)15-4-6-16(7-5-15)21(24)25/h4-9,12-13H,2-3,10-11H2,1H3,(H,24,25)