pyridin-2-ylmethyl 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate

Systemtic Name: pyridin-2-ylmethyl 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate Openeye Name: 2-pyridylmethyl 2-(4-benzyl-1-piperidyl)-5-nitro-benzoate CAS Name: 5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2-(4-benzylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-benzylpiperidino)-5-nitro-benzoic acid 2-pyridylmethyl ester Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=N4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=N4

InChI

InChI=1S/C25H25N3O4/c29-25(32-18-21-8-4-5-13-26-21)23-17-22(28(30)31)9-10-24(23)27-14-11-20(12-15-27)16-19-6-2-1-3-7-19/h1-10,13,17,20H,11-12,14-16,18H2