(2E)-2-[[4-(pyridin-3-ylmethyl)phenyl]methylidene]butanoic acid

Systemtic Name: (2E)-2-[[4-(pyridin-3-ylmethyl)phenyl]methylidene]butanoic acid Openeye Name: (2E)-2-[[4-(3-pyridylmethyl)phenyl]methylene]butanoic acid CAS Name: (2E)-2-[[4-(3-pyridinylmethyl)phenyl]methylidene]butanoic acid IUPAC Name: (2E)-2-[[4-(pyridin-3-ylmethyl)phenyl]methylidene]butanoic acid Traditional Name: (E)-2-ethyl-3-[4-(3-pyridylmethyl)phenyl]acrylic acid Formula: C17H17NO2 MolecularWeight: 267.32238

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC=C(C=C1)CC2=CN=CC=C2)C(=O)O

Isomeric SMILES

CC/C(=C\C1=CC=C(C=C1)CC2=CN=CC=C2)/C(=O)O

InChI

InChI=1S/C17H17NO2/c1-2-16(17(19)20)11-14-7-5-13(6-8-14)10-15-4-3-9-18-12-15/h3-9,11-12H,2,10H2,1H3,(H,19,20)/b16-11+