(2R)-2-(4-methyl-2-nitro-phenoxy)-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: (2R)-2-(4-methyl-2-nitro-phenoxy)-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: (2R)-1-(4-benzyl-1-piperidyl)-2-(4-methyl-2-nitro-phenoxy)propan-1-one CAS Name: (2R)-2-(4-methyl-2-nitrophenoxy)-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperidin-1-yl)-2-(4-methyl-2-nitrophenoxy)propan-1-one Traditional Name: (2R)-1-(4-benzylpiperidino)-2-(4-methyl-2-nitro-phenoxy)propan-1-one Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)C(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)O[C@H](C)C(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O4/c1-16-8-9-21(20(14-16)24(26)27)28-17(2)22(25)23-12-10-19(11-13-23)15-18-6-4-3-5-7-18/h3-9,14,17,19H,10-13,15H2,1-2H3/t17-/m1/s1