ethyl 1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate CAS Name: 1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-[(4-chlorophenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-(benzofurazan-5-ylmethyl)-4-(4-chlorobenzyl)isonipecotic acid ethyl ester Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC3=NON=C3C=C2)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC3=NON=C3C=C2)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3O3/c1-2-28-21(27)22(14-16-3-6-18(23)7-4-16)9-11-26(12-10-22)15-17-5-8-19-20(13-17)25-29-24-19/h3-8,13H,2,9-12,14-15H2,1H3