(E)-3-[3-methyl-4-(pyridin-3-ylmethyl)phenyl]but-2-enoic acid

Systemtic Name: (E)-3-[3-methyl-4-(pyridin-3-ylmethyl)phenyl]but-2-enoic acid Openeye Name: (E)-3-[3-methyl-4-(3-pyridylmethyl)phenyl]but-2-enoic acid CAS Name: (E)-3-[3-methyl-4-(3-pyridinylmethyl)phenyl]-2-butenoic acid IUPAC Name: (E)-3-[3-methyl-4-(pyridin-3-ylmethyl)phenyl]but-2-enoic acid Traditional Name: (E)-3-[3-methyl-4-(3-pyridylmethyl)phenyl]but-2-enoic acid Formula: C17H17NO2 MolecularWeight: 267.32238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO2/c1-12-8-15(13(2)9-17(19)20)5-6-16(12)10-14-4-3-7-18-11-14/h3-9,11H,10H2,1-2H3,(H,19,20)/b13-9+