ethyl 4-phenethyl-1-[4-(1,2,3,4-tetrazol-1-ylmethyl)phenyl]carbonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-phenethyl-1-[4-(1,2,3,4-tetrazol-1-ylmethyl)phenyl]carbonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-phenethyl-1-[4-(tetrazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(1-tetrazolylmethyl)phenyl]methyl]-4-phenethyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenethyl-1-[4-(tetrazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 4-phenethyl-1-[4-(tetrazol-1-ylmethyl)benzoyl]isonipecotic acid ethyl ester Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=NN=N3)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=NN=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O3/c1-2-33-24(32)25(13-12-20-6-4-3-5-7-20)14-16-29(17-15-25)23(31)22-10-8-21(9-11-22)18-30-19-26-27-28-30/h3-11,19H,2,12-18H2,1H3