5-chloranyl-6-[3-[4-(phenylmethyl)piperidin-1-yl]propanoyl]-3H-1,3-benzoxazol-2-one

Systemtic Name: 5-chloranyl-6-[3-[4-(phenylmethyl)piperidin-1-yl]propanoyl]-3H-1,3-benzoxazol-2-one Openeye Name: 6-[3-(4-benzyl-1-piperidyl)propanoyl]-5-chloro-3H-1,3-benzoxazol-2-one CAS Name: 5-chloro-6-[1-oxo-3-[4-(phenylmethyl)-1-piperidinyl]propyl]-3H-1,3-benzoxazol-2-one IUPAC Name: 6-[3-(4-benzylpiperidin-1-yl)propanoyl]-5-chloro-3H-1,3-benzoxazol-2-one Traditional Name: 6-[3-(4-benzylpiperidino)propanoyl]-5-chloro-3H-1,3-benzoxazol-2-one Formula: C22H23ClN2O3 MolecularWeight: 398.88262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCC(=O)C3=CC4=C(C=C3Cl)NC(=O)O4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCC(=O)C3=CC4=C(C=C3Cl)NC(=O)O4

InChI

InChI=1S/C22H23ClN2O3/c23-18-14-19-21(28-22(27)24-19)13-17(18)20(26)8-11-25-9-6-16(7-10-25)12-15-4-2-1-3-5-15/h1-5,13-14,16H,6-12H2,(H,24,27)