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

Systemtic Name: (E)-3-[5-[4-(2-butoxyethoxy)phenyl]-2-piperidin-1-yl-phenyl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[5-[4-(2-butoxyethoxy)phenyl]-2-(1-piperidyl)phenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[5-[4-(2-butoxyethoxy)phenyl]-2-(1-piperidinyl)phenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[5-[4-(2-butoxyethoxy)phenyl]-2-piperidin-1-ylphenyl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[5-[4-(2-butoxyethoxy)phenyl]-2-piperidino-phenyl]-2-methyl-acrylic acid Formula: C27H35NO4 MolecularWeight: 437.5711

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)N3CCCCC3)C=C(C)C(=O)O

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)N3CCCCC3)/C=C(\C)/C(=O)O

InChI

InChI=1S/C27H35NO4/c1-3-4-16-31-17-18-32-25-11-8-22(9-12-25)23-10-13-26(28-14-6-5-7-15-28)24(20-23)19-21(2)27(29)30/h8-13,19-20H,3-7,14-18H2,1-2H3,(H,29,30)/b21-19+