(E)-3-[3-methoxy-2-[2-oxidanylidene-2-(prop-2-ynylamino)ethoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-methoxy-2-[2-oxidanylidene-2-(prop-2-ynylamino)ethoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-methoxy-2-[2-oxo-2-(prop-2-ynylamino)ethoxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-methoxy-2-[2-oxo-2-(prop-2-ynylamino)ethoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-methoxy-2-[2-oxo-2-(prop-2-ynylamino)ethoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-[2-keto-2-(propargylamino)ethoxy]-3-methoxy-phenyl]acrylic acid Formula: C15H15NO5 MolecularWeight: 289.2833

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC(=O)NCC#C)C=CC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OCC(=O)NCC#C)/C=C/C(=O)O

InChI

InChI=1S/C15H15NO5/c1-3-9-16-13(17)10-21-15-11(7-8-14(18)19)5-4-6-12(15)20-2/h1,4-8H,9-10H2,2H3,(H,16,17)(H,18,19)/b8-7+