(E)-3-[5-[4-(2-butoxyethoxy)phenyl]-2-pyrrolidin-1-yl-phenyl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[5-[4-(2-butoxyethoxy)phenyl]-2-pyrrolidin-1-yl-phenyl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[5-[4-(2-butoxyethoxy)phenyl]-2-pyrrolidin-1-yl-phenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[5-[4-(2-butoxyethoxy)phenyl]-2-(1-pyrrolidinyl)phenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[5-[4-(2-butoxyethoxy)phenyl]-2-pyrrolidin-1-ylphenyl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[5-[4-(2-butoxyethoxy)phenyl]-2-pyrrolidino-phenyl]-2-methyl-acrylic acid Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)N3CCCC3)C=C(C)C(=O)O

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)N3CCCC3)/C=C(\C)/C(=O)O

InChI

InChI=1S/C26H33NO4/c1-3-4-15-30-16-17-31-24-10-7-21(8-11-24)22-9-12-25(27-13-5-6-14-27)23(19-22)18-20(2)26(28)29/h7-12,18-19H,3-6,13-17H2,1-2H3,(H,28,29)/b20-18+