methyl (3S,4R)-3-methyl-1-phenethyl-4-(2-phenylpropanoylamino)piperidine-4-carboxylate

Systemtic Name: methyl (3S,4R)-3-methyl-1-phenethyl-4-(2-phenylpropanoylamino)piperidine-4-carboxylate Openeye Name: methyl (3S,4R)-3-methyl-1-phenethyl-4-(2-phenylpropanoylamino)piperidine-4-carboxylate CAS Name: (3S,4R)-3-methyl-4-[(1-oxo-2-phenylpropyl)amino]-1-phenethyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-3-methyl-1-phenethyl-4-(2-phenylpropanoylamino)piperidine-4-carboxylate Traditional Name: (3S,4R)-4-(hydratropoylamino)-3-methyl-1-phenethyl-isonipecotic acid methyl ester Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C(=O)OC)NC(=O)C(C)C2=CC=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CN(CC[C@@]1(C(=O)OC)NC(=O)C(C)C2=CC=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C25H32N2O3/c1-19-18-27(16-14-21-10-6-4-7-11-21)17-15-25(19,24(29)30-3)26-23(28)20(2)22-12-8-5-9-13-22/h4-13,19-20H,14-18H2,1-3H3,(H,26,28)/t19-,20?,25+/m0/s1