4-[(2R,3S,4S)-4-(2-bromophenyl)-3-nitro-1-(pyridin-3-ylmethyl)piperidin-2-yl]-2-methoxy-phenol

Systemtic Name: 4-[(2R,3S,4S)-4-(2-bromophenyl)-3-nitro-1-(pyridin-3-ylmethyl)piperidin-2-yl]-2-methoxy-phenol Openeye Name: 4-[(2R,3S,4S)-4-(2-bromophenyl)-3-nitro-1-(3-pyridylmethyl)-2-piperidyl]-2-methoxy-phenol CAS Name: 4-[(2R,3S,4S)-4-(2-bromophenyl)-3-nitro-1-(3-pyridinylmethyl)-2-piperidinyl]-2-methoxyphenol IUPAC Name: 4-[(2R,3S,4S)-4-(2-bromophenyl)-3-nitro-1-(pyridin-3-ylmethyl)piperidin-2-yl]-2-methoxyphenol Traditional Name: 4-[(2R,3S,4S)-4-(2-bromophenyl)-3-nitro-1-(3-pyridylmethyl)-2-piperidyl]-2-methoxy-phenol Formula: C24H24BrN3O4 MolecularWeight: 498.36906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(C(CCN2CC3=CN=CC=C3)C4=CC=CC=C4Br)[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C=CC(=C1)[C@@H]2[C@H]([C@@H](CCN2CC3=CN=CC=C3)C4=CC=CC=C4Br)[N+](=O)[O-])O

InChI

InChI=1S/C24H24BrN3O4/c1-32-22-13-17(8-9-21(22)29)23-24(28(30)31)19(18-6-2-3-7-20(18)25)10-12-27(23)15-16-5-4-11-26-14-16/h2-9,11,13-14,19,23-24,29H,10,12,15H2,1H3/t19-,23+,24-/m0/s1