prop-2-enyl (2R,3S,4R)-4-(2-ethylphenyl)-2-phenyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate

Systemtic Name: prop-2-enyl (2R,3S,4R)-4-(2-ethylphenyl)-2-phenyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate Openeye Name: allyl (2R,3S,4R)-4-(2-ethylphenyl)-2-phenyl-1-(3-pyridylmethyl)piperidine-3-carboxylate CAS Name: (2R,3S,4R)-4-(2-ethylphenyl)-2-phenyl-1-(3-pyridinylmethyl)-3-piperidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2R,3S,4R)-4-(2-ethylphenyl)-2-phenyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate Traditional Name: (2R,3S,4R)-4-(2-ethylphenyl)-2-phenyl-1-(3-pyridylmethyl)nipecotic acid allyl ester Formula: C29H32N2O2 MolecularWeight: 440.57658

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2CCN(C(C2C(=O)OCC=C)C3=CC=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1[C@@H]2CCN([C@H]([C@H]2C(=O)OCC=C)C3=CC=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C29H32N2O2/c1-3-19-33-29(32)27-26(25-15-9-8-12-23(25)4-2)16-18-31(21-22-11-10-17-30-20-22)28(27)24-13-6-5-7-14-24/h3,5-15,17,20,26-28H,1,4,16,18-19,21H2,2H3/t26-,27-,28-/m0/s1