(E)-3-[3,4-dimethoxy-2-(2-oxidanyl-3-pyrrolidin-1-yl-propyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3,4-dimethoxy-2-(2-oxidanyl-3-pyrrolidin-1-yl-propyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(2-hydroxy-3-pyrrolidin-1-yl-propyl)-3,4-dimethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[2-hydroxy-3-(1-pyrrolidinyl)propyl]-3,4-dimethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-3,4-dimethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(2-hydroxy-3-pyrrolidino-propyl)-3,4-dimethoxy-phenyl]acrylic acid Formula: C18H25NO5 MolecularWeight: 335.3948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=CC(=O)O)CC(CN2CCCC2)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)/C=C/C(=O)O)CC(CN2CCCC2)O)OC

InChI

InChI=1S/C18H25NO5/c1-23-16-7-5-13(6-8-17(21)22)15(18(16)24-2)11-14(20)12-19-9-3-4-10-19/h5-8,14,20H,3-4,9-12H2,1-2H3,(H,21,22)/b8-6+