methyl 3-[4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-[4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[1-[(4-methoxyphenyl)methyl]-2-imidazolyl]-1-piperidinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-nitro-5-[4-(1-p-anisylimidazol-2-yl)piperidine-1-carbonyl]benzoic acid methyl ester Formula: C25H26N4O6 MolecularWeight: 478.49714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=CN=C2C3CCN(CC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=CN=C2C3CCN(CC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C25H26N4O6/c1-34-22-5-3-17(4-6-22)16-28-12-9-26-23(28)18-7-10-27(11-8-18)24(30)19-13-20(25(31)35-2)15-21(14-19)29(32)33/h3-6,9,12-15,18H,7-8,10-11,16H2,1-2H3