1-[(2R,4R)-1-(3,5-dimethylphenyl)carbonyl-2-(phenylmethyl)piperidin-4-yl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: 1-[(2R,4R)-1-(3,5-dimethylphenyl)carbonyl-2-(phenylmethyl)piperidin-4-yl]-4-phenyl-piperidine-4-carboxylate Openeye Name: 1-[(2R,4R)-2-benzyl-1-(3,5-dimethylbenzoyl)-4-piperidyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[(2R,4R)-1-[(3,5-dimethylphenyl)-oxomethyl]-2-(phenylmethyl)-4-piperidinyl]-4-phenyl-4-piperidinecarboxylate IUPAC Name: 1-[(2R,4R)-2-benzyl-1-(3,5-dimethylbenzoyl)piperidin-4-yl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[(2R,4R)-2-benzyl-1-(3,5-dimethylbenzoyl)-4-piperidyl]-4-phenyl-isonipecotate Formula: C33H37N2O3- MolecularWeight: 509.65848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCC(CC2CC3=CC=CC=C3)N4CCC(CC4)(C5=CC=CC=C5)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CC[C@H](C[C@H]2CC3=CC=CC=C3)N4CCC(CC4)(C5=CC=CC=C5)C(=O)[O-])C

InChI

InChI=1S/C33H38N2O3/c1-24-19-25(2)21-27(20-24)31(36)35-16-13-29(23-30(35)22-26-9-5-3-6-10-26)34-17-14-33(15-18-34,32(37)38)28-11-7-4-8-12-28/h3-12,19-21,29-30H,13-18,22-23H2,1-2H3,(H,37,38)/p-1/t29-,30-/m1/s1