4-[2-[2-(2-piperidin-1-ylethoxy)-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid hydrochloride

Systemtic Name: 4-[2-[2-(2-piperidin-1-ylethoxy)-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid hydrochloride Openeye Name: 4-[2-[2-[2-(1-piperidyl)ethoxy]-5-(2-thienyl)phenyl]prop-2-enoyl]benzoic acid hydrochloride CAS Name: 4-[1-oxo-2-[2-[2-(1-piperidinyl)ethoxy]-5-thiophen-2-ylphenyl]prop-2-enyl]benzoic acid hydrochloride IUPAC Name: 4-[2-[2-(2-piperidin-1-ylethoxy)-5-thiophen-2-ylphenyl]prop-2-enoyl]benzoic acid hydrochloride Traditional Name: 4-[2-[2-(2-piperidinoethoxy)-5-(2-thienyl)phenyl]acryloyl]benzoic acid hydrochloride Formula: C27H28ClNO4S MolecularWeight: 498.03352

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C(C=CC(=C1)C2=CC=CS2)OCCN3CCCCC3)C(=O)C4=CC=C(C=C4)C(=O)O.Cl

Isomeric SMILES

C=C(C1=C(C=CC(=C1)C2=CC=CS2)OCCN3CCCCC3)C(=O)C4=CC=C(C=C4)C(=O)O.Cl

InChI

InChI=1S/C27H27NO4S.ClH/c1-19(26(29)20-7-9-21(10-8-20)27(30)31)23-18-22(25-6-5-17-33-25)11-12-24(23)32-16-15-28-13-3-2-4-14-28;/h5-12,17-18H,1-4,13-16H2,(H,30,31);1H