(E)-3-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(3-methyl-1-piperidyl)methyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[(3-methyl-1-piperidinyl)methyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(3-methylpiperidino)methyl]phenyl]acrylic acid Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=CC=C(C=C2)C=CC(=O)O

Isomeric SMILES

CC1CCCN(C1)CC2=CC=C(C=C2)/C=C/C(=O)O

InChI

InChI=1S/C16H21NO2/c1-13-3-2-10-17(11-13)12-15-6-4-14(5-7-15)8-9-16(18)19/h4-9,13H,2-3,10-12H2,1H3,(H,18,19)/b9-8+