methyl (3R,4S)-3-methyl-1-phenethyl-4-[phenyl(3,3,3-trideuteriopropanoyl)amino]piperidine-4-carboxylate

Systemtic Name: methyl (3R,4S)-3-methyl-1-phenethyl-4-[phenyl(3,3,3-trideuteriopropanoyl)amino]piperidine-4-carboxylate Openeye Name: methyl (3R,4S)-3-methyl-1-phenethyl-4-[N-(3,3,3-trideuteriopropanoyl)anilino]piperidine-4-carboxylate CAS Name: (3R,4S)-3-methyl-1-phenethyl-4-(N-(3,3,3-trideuterio-1-oxopropyl)anilino)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-3-methyl-1-phenethyl-4-[N-(3,3,3-trideuteriopropanoyl)anilino]piperidine-4-carboxylate Traditional Name: (3R,4S)-3-methyl-1-phenethyl-4-[N-(3,3,3-trideuteriopropanoyl)anilino]isonipecotic acid methyl ester Formula: C25H32N2O3 MolecularWeight: 411.551665

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2C)CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

[2H]C([2H])([2H])CC(=O)N(C1=CC=CC=C1)[C@]2(CCN(C[C@H]2C)CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3/t20-,25+/m1/s1/i1D3