2-[4-[[4-(4-chloranyl-2-methyl-phenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-5-nitro-benzoic acid

Systemtic Name: 2-[4-[[4-(4-chloranyl-2-methyl-phenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-5-nitro-benzoic acid Openeye Name: 2-[4-[[4-(4-chloro-2-methyl-phenoxy)-1-piperidyl]methyl]-1-piperidyl]-5-nitro-benzoic acid CAS Name: 2-[4-[[4-(4-chloro-2-methylphenoxy)-1-piperidinyl]methyl]-1-piperidinyl]-5-nitrobenzoic acid IUPAC Name: 2-[4-[[4-(4-chloro-2-methylphenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-5-nitrobenzoic acid Traditional Name: 2-[4-[[4-(4-chloro-2-methyl-phenoxy)piperidino]methyl]piperidino]-5-nitro-benzoic acid Formula: C25H30ClN3O5 MolecularWeight: 487.9758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC2CCN(CC2)CC3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC2CCN(CC2)CC3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C25H30ClN3O5/c1-17-14-19(26)2-5-24(17)34-21-8-10-27(11-9-21)16-18-6-12-28(13-7-18)23-4-3-20(29(32)33)15-22(23)25(30)31/h2-5,14-15,18,21H,6-13,16H2,1H3,(H,30,31)