(3-methyl-1,2-oxazol-5-yl)methyl 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate Openeye Name: (3-methylisoxazol-5-yl)methyl 2-(4-benzyl-1-piperidyl)-5-nitro-benzoate CAS Name: 5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzoic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-benzylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-benzylpiperidino)-5-nitro-benzoic acid (3-methylisoxazol-5-yl)methyl ester Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NOC(=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O5/c1-17-13-21(32-25-17)16-31-24(28)22-15-20(27(29)30)7-8-23(22)26-11-9-19(10-12-26)14-18-5-3-2-4-6-18/h2-8,13,15,19H,9-12,14,16H2,1H3