2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-4-[[(3S)-3-phenylmethoxypiperidin-1-yl]methyl]-1,3-oxazole

Systemtic Name: 2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-4-[[(3S)-3-phenylmethoxypiperidin-1-yl]methyl]-1,3-oxazole Openeye Name: 4-[[(3S)-3-benzyloxy-1-piperidyl]methyl]-2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-oxazole CAS Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[(3S)-3-phenylmethoxy-1-piperidinyl]methyl]oxazole IUPAC Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[(3S)-3-phenylmethoxypiperidin-1-yl]methyl]-1,3-oxazole Traditional Name: 4-[[(3S)-3-benzoxypiperidino]methyl]-2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-oxazole Formula: C24H25ClN2O4 MolecularWeight: 440.9193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC3=C(C=C2Cl)OCO3)CN4CCCC(C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=C(C=C2Cl)OCO3)CN4CCC[C@@H](C4)OCC5=CC=CC=C5

InChI

InChI=1S/C24H25ClN2O4/c1-16-21(26-24(31-16)19-10-22-23(11-20(19)25)30-15-29-22)13-27-9-5-8-18(12-27)28-14-17-6-3-2-4-7-17/h2-4,6-7,10-11,18H,5,8-9,12-15H2,1H3/t18-/m0/s1