methyl 1-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazole-5-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazole-5-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-chlorobenzyl)-1,3-benzoxazole-5-carbonyl]isonipecotic acid methyl ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN2O4/c1-28-22(27)15-8-10-25(11-9-15)21(26)16-4-7-19-18(13-16)24-20(29-19)12-14-2-5-17(23)6-3-14/h2-7,13,15H,8-12H2,1H3