ethyl 2-[(E)-2-(5-methyl-4-piperidin-1-yl-pyridin-2-yl)ethenyl]benzoate hydrochloride

Systemtic Name: ethyl 2-[(E)-2-(5-methyl-4-piperidin-1-yl-pyridin-2-yl)ethenyl]benzoate hydrochloride Openeye Name: ethyl 2-[(E)-2-[5-methyl-4-(1-piperidyl)-2-pyridyl]vinyl]benzoate hydrochloride CAS Name: 2-[(E)-2-[5-methyl-4-(1-piperidinyl)-2-pyridinyl]ethenyl]benzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[(E)-2-(5-methyl-4-piperidin-1-ylpyridin-2-yl)ethenyl]benzoate hydrochloride Traditional Name: 2-[(E)-2-(5-methyl-4-piperidino-2-pyridyl)vinyl]benzoic acid ethyl ester hydrochloride Formula: C22H27ClN2O2 MolecularWeight: 386.91498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C=CC2=NC=C(C(=C2)N3CCCCC3)C.Cl

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1/C=C/C2=NC=C(C(=C2)N3CCCCC3)C.Cl

InChI

InChI=1S/C22H26N2O2.ClH/c1-3-26-22(25)20-10-6-5-9-18(20)11-12-19-15-21(17(2)16-23-19)24-13-7-4-8-14-24;/h5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3;1H/b12-11+;