[1-[cyano(pyridin-3-yl)methyl]piperidin-4-yl] 3,3-diphenylpropanoate chloride

Systemtic Name: [1-[cyano(pyridin-3-yl)methyl]piperidin-4-yl] 3,3-diphenylpropanoate chloride Openeye Name: [1-[cyano(3-pyridyl)methyl]-4-piperidyl] 3,3-diphenylpropanoate chloride CAS Name: 3,3-diphenylpropanoic acid [1-[cyano(3-pyridinyl)methyl]-4-piperidinyl] ester chloride IUPAC Name: [1-[cyano(pyridin-3-yl)methyl]piperidin-4-yl] 3,3-diphenylpropanoate chloride Traditional Name: 3,3-diphenylpropionic acid [1-[cyano(3-pyridyl)methyl]-4-piperidyl] ester chloride Formula: C27H27ClN3O2- MolecularWeight: 460.97518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)C(C#N)C4=CN=CC=C4.[Cl-]

Isomeric SMILES

C1CN(CCC1OC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)C(C#N)C4=CN=CC=C4.[Cl-]

InChI

InChI=1S/C27H27N3O2.ClH/c28-19-26(23-12-7-15-29-20-23)30-16-13-24(14-17-30)32-27(31)18-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22;/h1-12,15,20,24-26H,13-14,16-18H2;1H/p-1