2-nitro-5-[4-[4-(phenylmethyl)piperidin-1-yl]but-1-ynyl]phenol

Systemtic Name: 2-nitro-5-[4-[4-(phenylmethyl)piperidin-1-yl]but-1-ynyl]phenol Openeye Name: 5-[4-(4-benzyl-1-piperidyl)but-1-ynyl]-2-nitro-phenol CAS Name: 2-nitro-5-[4-[4-(phenylmethyl)-1-piperidinyl]but-1-ynyl]phenol IUPAC Name: 5-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]-2-nitrophenol Traditional Name: 5-[4-(4-benzylpiperidino)but-1-ynyl]-2-nitro-phenol Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCC#CC3=CC(=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCC#CC3=CC(=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C22H24N2O3/c25-22-17-19(9-10-21(22)24(26)27)8-4-5-13-23-14-11-20(12-15-23)16-18-6-2-1-3-7-18/h1-3,6-7,9-10,17,20,25H,5,11-16H2