[2-[3-(4-cyano-4-phenyl-piperidin-1-yl)-3-oxidanylidene-propyl]phenyl] benzoate

Systemtic Name: [2-[3-(4-cyano-4-phenyl-piperidin-1-yl)-3-oxidanylidene-propyl]phenyl] benzoate Openeye Name: [2-[3-(4-cyano-4-phenyl-1-piperidyl)-3-oxo-propyl]phenyl] benzoate CAS Name: benzoic acid [2-[3-(4-cyano-4-phenyl-1-piperidinyl)-3-oxopropyl]phenyl] ester IUPAC Name: [2-[3-(4-cyano-4-phenylpiperidin-1-yl)-3-oxopropyl]phenyl] benzoate Traditional Name: benzoic acid [2-[3-(4-cyano-4-phenyl-piperidino)-3-keto-propyl]phenyl] ester Formula: C28H26N2O3 MolecularWeight: 438.51764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)C(=O)CCC3=CC=CC=C3OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)C(=O)CCC3=CC=CC=C3OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H26N2O3/c29-21-28(24-12-5-2-6-13-24)17-19-30(20-18-28)26(31)16-15-22-9-7-8-14-25(22)33-27(32)23-10-3-1-4-11-23/h1-14H,15-20H2