(E)-3-[3-[6-(piperidin-4-ylmethylamino)pyridin-2-yl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[6-(piperidin-4-ylmethylamino)pyridin-2-yl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[6-(4-piperidylmethylamino)-2-pyridyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[6-(4-piperidinylmethylamino)-2-pyridinyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[6-(piperidin-4-ylmethylamino)pyridin-2-yl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[6-(4-piperidylmethylamino)-2-pyridyl]phenyl]acrylic acid Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CNC2=CC=CC(=N2)C3=CC(=CC=C3)C=CC(=O)O

Isomeric SMILES

C1CNCCC1CNC2=CC=CC(=N2)C3=CC(=CC=C3)/C=C/C(=O)O

InChI

InChI=1S/C20H23N3O2/c24-20(25)8-7-15-3-1-4-17(13-15)18-5-2-6-19(23-18)22-14-16-9-11-21-12-10-16/h1-8,13,16,21H,9-12,14H2,(H,22,23)(H,24,25)/b8-7+