2-[4-[(E)-4-oxidanylidene-4-(pyridin-3-ylmethylamino)but-2-en-2-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-4-oxidanylidene-4-(pyridin-3-ylmethylamino)but-2-en-2-yl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-1-methyl-3-oxo-3-(3-pyridylmethylamino)prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[4-[(E)-4-oxo-4-(3-pyridinylmethylamino)but-2-en-2-yl]phenoxy]acetic acid IUPAC Name: 2-[4-[(E)-4-oxo-4-(pyridin-3-ylmethylamino)but-2-en-2-yl]phenoxy]acetic acid Traditional Name: 2-[4-[(E)-3-keto-1-methyl-3-(3-pyridylmethylamino)prop-1-enyl]phenoxy]acetic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NCC1=CN=CC=C1)C2=CC=C(C=C2)OCC(=O)O

Isomeric SMILES

C/C(=C\C(=O)NCC1=CN=CC=C1)/C2=CC=C(C=C2)OCC(=O)O

InChI

InChI=1S/C18H18N2O4/c1-13(9-17(21)20-11-14-3-2-8-19-10-14)15-4-6-16(7-5-15)24-12-18(22)23/h2-10H,11-12H2,1H3,(H,20,21)(H,22,23)/b13-9+