[(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-piperidin-2-yl]-1-phenyl-ethyl] 4-methylbenzoate

Systemtic Name: [(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-piperidin-2-yl]-1-phenyl-ethyl] 4-methylbenzoate Openeye Name: [(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-2-piperidyl]-1-phenyl-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-2-piperidinyl]-1-phenylethyl] ester IUPAC Name: [(1S)-2-[(2S,6R)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-2-piperidyl]-1-phenyl-ethyl] ester Formula: C30H33NO3 MolecularWeight: 455.58792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(CC2CCCC(N2C)CC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@@H](C[C@@H]2CCC[C@@H](N2C)CC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H33NO3/c1-22-16-18-25(19-17-22)30(33)34-29(24-12-7-4-8-13-24)21-27-15-9-14-26(31(27)2)20-28(32)23-10-5-3-6-11-23/h3-8,10-13,16-19,26-27,29H,9,14-15,20-21H2,1-2H3/t26-,27+,29+/m1/s1