ethyl 1-[(1S)-2-methyl-1-(1-phenethyl-1,2,3,4-tetrazol-5-yl)propyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(1S)-2-methyl-1-(1-phenethyl-1,2,3,4-tetrazol-5-yl)propyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(1S)-2-methyl-1-(1-phenethyltetrazol-5-yl)propyl]piperidine-4-carboxylate CAS Name: 1-[(1S)-2-methyl-1-(1-phenethyl-5-tetrazolyl)propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1S)-2-methyl-1-(1-phenethyltetrazol-5-yl)propyl]piperidine-4-carboxylate Traditional Name: 1-[(1S)-2-methyl-1-(1-phenethyltetrazol-5-yl)propyl]isonipecotic acid ethyl ester Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C2=NN=NN2CCC3=CC=CC=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)[C@H](C2=NN=NN2CCC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C21H31N5O2/c1-4-28-21(27)18-11-13-25(14-12-18)19(16(2)3)20-22-23-24-26(20)15-10-17-8-6-5-7-9-17/h5-9,16,18-19H,4,10-15H2,1-3H3/t19-/m0/s1