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

Systemtic Name: [1-[cyano(pyridin-3-yl)methyl]piperidin-4-yl] 3,3-diphenylpropanoate Openeye Name: [1-[cyano(3-pyridyl)methyl]-4-piperidyl] 3,3-diphenylpropanoate CAS Name: 3,3-diphenylpropanoic acid [1-[cyano(3-pyridinyl)methyl]-4-piperidinyl] ester IUPAC Name: [1-[cyano(pyridin-3-yl)methyl]piperidin-4-yl] 3,3-diphenylpropanoate Traditional Name: 3,3-diphenylpropionic acid [1-[cyano(3-pyridyl)methyl]-4-piperidyl] ester Formula: C27H27N3O2 MolecularWeight: 425.52218

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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

Isomeric SMILES

C1CN(CCC1OC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)C(C#N)C4=CN=CC=C4

InChI

InChI=1S/C27H27N3O2/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