ethyl (3R,4S)-3-methyl-1-(phenylmethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

Systemtic Name: ethyl (3R,4S)-3-methyl-1-(phenylmethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate Openeye Name: ethyl (3R,4S)-1-benzyl-3-methyl-4-(N-propanoylanilino)piperidine-4-carboxylate CAS Name: (3R,4S)-3-methyl-4-[N-(1-oxopropyl)anilino]-1-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S)-1-benzyl-3-methyl-4-(N-propanoylanilino)piperidine-4-carboxylate Traditional Name: (3R,4S)-1-benzyl-3-methyl-4-(N-propionylanilino)isonipecotic acid ethyl ester Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2C)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)[C@]2(CCN(C[C@H]2C)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C25H32N2O3/c1-4-23(28)27(22-14-10-7-11-15-22)25(24(29)30-5-2)16-17-26(18-20(25)3)19-21-12-8-6-9-13-21/h6-15,20H,4-5,16-19H2,1-3H3/t20-,25+/m1/s1