(Z)-3-[2-(methylamino)-2-oxidanylidene-ethoxy]-3-phenyl-2-(pyridin-3-ylmethyl)prop-2-enoic acid

Systemtic Name: (Z)-3-[2-(methylamino)-2-oxidanylidene-ethoxy]-3-phenyl-2-(pyridin-3-ylmethyl)prop-2-enoic acid Openeye Name: (Z)-3-[2-(methylamino)-2-oxo-ethoxy]-3-phenyl-2-(3-pyridylmethyl)prop-2-enoic acid CAS Name: (Z)-3-[2-(methylamino)-2-oxoethoxy]-3-phenyl-2-(3-pyridinylmethyl)-2-propenoic acid IUPAC Name: (Z)-3-[2-(methylamino)-2-oxoethoxy]-3-phenyl-2-(pyridin-3-ylmethyl)prop-2-enoic acid Traditional Name: (Z)-3-[2-keto-2-(methylamino)ethoxy]-3-phenyl-2-(3-pyridylmethyl)acrylic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=C(CC1=CN=CC=C1)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CNC(=O)CO/C(=C(/CC1=CN=CC=C1)\C(=O)O)/C2=CC=CC=C2

InChI

InChI=1S/C18H18N2O4/c1-19-16(21)12-24-17(14-7-3-2-4-8-14)15(18(22)23)10-13-6-5-9-20-11-13/h2-9,11H,10,12H2,1H3,(H,19,21)(H,22,23)/b17-15-