(E)-2-cyano-3-[3-methoxy-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-[3-methoxy-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-cyano-3-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-yl-ethoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-cyano-3-[3-methoxy-4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-cyano-3-[4-(2-keto-2-pyrrolidino-ethoxy)-3-methoxy-phenyl]acrylic acid Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)O)OCC(=O)N2CCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)O)OCC(=O)N2CCCC2

InChI

InChI=1S/C17H18N2O5/c1-23-15-9-12(8-13(10-18)17(21)22)4-5-14(15)24-11-16(20)19-6-2-3-7-19/h4-5,8-9H,2-3,6-7,11H2,1H3,(H,21,22)/b13-8+