methyl (2S,5S,6S)-1-(4-methanoylphenyl)carbonyl-5-methyl-6-(4-methylphenyl)piperidine-2-carboxylate

Systemtic Name: methyl (2S,5S,6S)-1-(4-methanoylphenyl)carbonyl-5-methyl-6-(4-methylphenyl)piperidine-2-carboxylate Openeye Name: methyl (2S,5S,6S)-1-(4-formylbenzoyl)-5-methyl-6-(p-tolyl)piperidine-2-carboxylate CAS Name: (2S,5S,6S)-1-[(4-formylphenyl)-oxomethyl]-5-methyl-6-(4-methylphenyl)-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,5S,6S)-1-(4-formylbenzoyl)-5-methyl-6-(4-methylphenyl)piperidine-2-carboxylate Traditional Name: (2S,5S,6S)-1-(4-formylbenzoyl)-5-methyl-6-(p-tolyl)pipecolinic acid methyl ester Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N(C1C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C=O)C(=O)OC

Isomeric SMILES

C[C@H]1CC[C@H](N([C@@H]1C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C=O)C(=O)OC

InChI

InChI=1S/C23H25NO4/c1-15-4-9-18(10-5-15)21-16(2)6-13-20(23(27)28-3)24(21)22(26)19-11-7-17(14-25)8-12-19/h4-5,7-12,14,16,20-21H,6,13H2,1-3H3/t16-,20-,21-/m0/s1