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

Systemtic Name: 5-chloranyl-6-[2-[3-(phenylmethyl)piperidin-1-yl]ethanoyl]-3H-1,3-benzoxazol-2-one Openeye Name: 6-[2-(3-benzyl-1-piperidyl)acetyl]-5-chloro-3H-1,3-benzoxazol-2-one CAS Name: 5-chloro-6-[1-oxo-2-[3-(phenylmethyl)-1-piperidinyl]ethyl]-3H-1,3-benzoxazol-2-one IUPAC Name: 6-[2-(3-benzylpiperidin-1-yl)acetyl]-5-chloro-3H-1,3-benzoxazol-2-one Traditional Name: 6-[2-(3-benzylpiperidino)acetyl]-5-chloro-3H-1,3-benzoxazol-2-one Formula: C21H21ClN2O3 MolecularWeight: 384.85604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)CC(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21ClN2O3/c22-17-11-18-20(27-21(26)23-18)10-16(17)19(25)13-24-8-4-7-15(12-24)9-14-5-2-1-3-6-14/h1-3,5-6,10-11,15H,4,7-9,12-13H2,(H,23,26)