[(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 3,4-dimethylbenzoate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 3,4-dimethylbenzoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [(1R)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCCCC3)C

InChI

InChI=1S/C22H25NO3/c1-16-11-12-19(15-17(16)2)22(25)26-20(18-9-5-3-6-10-18)21(24)23-13-7-4-8-14-23/h3,5-6,9-12,15,20H,4,7-8,13-14H2,1-2H3/t20-/m1/s1