5-nitro-2-[2-oxidanylidene-2-[3-[4-(phenylmethyl)piperidin-1-yl]propoxy]ethyl]benzoic acid

Systemtic Name: 5-nitro-2-[2-oxidanylidene-2-[3-[4-(phenylmethyl)piperidin-1-yl]propoxy]ethyl]benzoic acid Openeye Name: 2-[2-[3-(4-benzyl-1-piperidyl)propoxy]-2-oxo-ethyl]-5-nitro-benzoic acid CAS Name: 5-nitro-2-[2-oxo-2-[3-[4-(phenylmethyl)-1-piperidinyl]propoxy]ethyl]benzoic acid IUPAC Name: 2-[2-[3-(4-benzylpiperidin-1-yl)propoxy]-2-oxoethyl]-5-nitrobenzoic acid Traditional Name: 2-[2-[3-(4-benzylpiperidino)propoxy]-2-keto-ethyl]-5-nitro-benzoic acid Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O6/c27-23(16-20-7-8-21(26(30)31)17-22(20)24(28)29)32-14-4-11-25-12-9-19(10-13-25)15-18-5-2-1-3-6-18/h1-3,5-8,17,19H,4,9-16H2,(H,28,29)