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

Systemtic Name: (Z)-3-[4-(2-butoxyethoxy)phenyl]-2-methyl-3-(2-pyrrolidin-1-ylpyridin-3-yl)prop-2-enoic acid Openeye Name: (Z)-3-[4-(2-butoxyethoxy)phenyl]-2-methyl-3-(2-pyrrolidin-1-yl-3-pyridyl)prop-2-enoic acid CAS Name: (Z)-3-[4-(2-butoxyethoxy)phenyl]-2-methyl-3-[2-(1-pyrrolidinyl)-3-pyridinyl]-2-propenoic acid IUPAC Name: (Z)-3-[4-(2-butoxyethoxy)phenyl]-2-methyl-3-(2-pyrrolidin-1-ylpyridin-3-yl)prop-2-enoic acid Traditional Name: (Z)-3-[4-(2-butoxyethoxy)phenyl]-2-methyl-3-(2-pyrrolidino-3-pyridyl)acrylic acid Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4/c1-3-4-16-30-17-18-31-21-11-9-20(10-12-21)23(19(2)25(28)29)22-8-7-13-26-24(22)27-14-5-6-15-27/h7-13H,3-6,14-18H2,1-2H3,(H,28,29)/b23-19-