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

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 2-(4-benzyl-1-piperidyl)-5-nitro-benzoate CAS Name: 5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-benzylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-benzylpiperidino)-5-nitro-benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C29H27N3O4S MolecularWeight: 513.60738

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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=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CSC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3O4S/c33-29(36-19-24-20-37-28(30-24)23-9-5-2-6-10-23)26-18-25(32(34)35)11-12-27(26)31-15-13-22(14-16-31)17-21-7-3-1-4-8-21/h1-12,18,20,22H,13-17,19H2