(E)-3-[5-chloranyl-2-(2-piperidin-1-ylethoxy)phenyl]-2-thiophen-2-yl-prop-2-enoic acid

Systemtic Name: (E)-3-[5-chloranyl-2-(2-piperidin-1-ylethoxy)phenyl]-2-thiophen-2-yl-prop-2-enoic acid Openeye Name: (E)-3-[5-chloro-2-[2-(1-piperidyl)ethoxy]phenyl]-2-(2-thienyl)prop-2-enoic acid CAS Name: (E)-3-[5-chloro-2-[2-(1-piperidinyl)ethoxy]phenyl]-2-thiophen-2-yl-2-propenoic acid IUPAC Name: (E)-3-[5-chloro-2-(2-piperidin-1-ylethoxy)phenyl]-2-thiophen-2-ylprop-2-enoic acid Traditional Name: (E)-3-[5-chloro-2-(2-piperidinoethoxy)phenyl]-2-(2-thienyl)acrylic acid Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=C(C=C(C=C2)Cl)C=C(C3=CC=CS3)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCOC2=C(C=C(C=C2)Cl)/C=C(/C3=CC=CS3)\C(=O)O

InChI

InChI=1S/C20H22ClNO3S/c21-16-6-7-18(25-11-10-22-8-2-1-3-9-22)15(13-16)14-17(20(23)24)19-5-4-12-26-19/h4-7,12-14H,1-3,8-11H2,(H,23,24)/b17-14-