2-methylbutanoyl 1-(2-oxidanyl-2-phenyl-ethyl)-4-phenyl-piperidine-4-carboxylate

Systemtic Name: 2-methylbutanoyl 1-(2-oxidanyl-2-phenyl-ethyl)-4-phenyl-piperidine-4-carboxylate Openeye Name: 2-methylbutanoyl 1-(2-hydroxy-2-phenyl-ethyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(2-hydroxy-2-phenylethyl)-4-phenyl-4-piperidinecarboxylic acid (2-methyl-1-oxobutyl) ester IUPAC Name: 2-methylbutanoyl 1-(2-hydroxy-2-phenylethyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(2-hydroxy-2-phenyl-ethyl)-4-phenyl-isonipecotic acid 2-methylbutanoyl ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC(=O)C1(CCN(CC1)CC(C2=CC=CC=C2)O)C3=CC=CC=C3

Isomeric SMILES

CCC(C)C(=O)OC(=O)C1(CCN(CC1)CC(C2=CC=CC=C2)O)C3=CC=CC=C3

InChI

InChI=1S/C25H31NO4/c1-3-19(2)23(28)30-24(29)25(21-12-8-5-9-13-21)14-16-26(17-15-25)18-22(27)20-10-6-4-7-11-20/h4-13,19,22,27H,3,14-18H2,1-2H3