ethyl 3-nitro-5-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[[2-(1-piperidylmethyl)phenyl]methylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[2-(1-piperidinylmethyl)phenyl]methylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]benzoate Traditional Name: 3-nitro-5-[[2-(piperidinomethyl)benzyl]carbamoyl]benzoic acid ethyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=CC=C2CN3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=CC=C2CN3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5/c1-2-31-23(28)20-12-19(13-21(14-20)26(29)30)22(27)24-15-17-8-4-5-9-18(17)16-25-10-6-3-7-11-25/h4-5,8-9,12-14H,2-3,6-7,10-11,15-16H2,1H3,(H,24,27)