(E)-3-[4-[2-methoxyethanoyl(pyridin-3-ylmethyl)amino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[2-methoxyethanoyl(pyridin-3-ylmethyl)amino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(2-methoxyacetyl)-(3-pyridylmethyl)amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[(2-methoxy-1-oxoethyl)-(3-pyridinylmethyl)amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[(2-methoxyacetyl)-(pyridin-3-ylmethyl)amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(2-methoxyacetyl)-(3-pyridylmethyl)amino]phenyl]acrylic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N(CC1=CN=CC=C1)C2=CC=C(C=C2)C=CC(=O)O

Isomeric SMILES

COCC(=O)N(CC1=CN=CC=C1)C2=CC=C(C=C2)/C=C/C(=O)O

InChI

InChI=1S/C18H18N2O4/c1-24-13-17(21)20(12-15-3-2-10-19-11-15)16-7-4-14(5-8-16)6-9-18(22)23/h2-11H,12-13H2,1H3,(H,22,23)/b9-6+