ethyl 3-[methyl-[(4-piperidin-1-ylphenyl)methyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[methyl-[(4-piperidin-1-ylphenyl)methyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[methyl-[[4-(1-piperidyl)phenyl]methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[methyl-[[4-(1-piperidinyl)phenyl]methyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[methyl-[(4-piperidin-1-ylphenyl)methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[methyl-(4-piperidinobenzyl)carbamoyl]-5-nitro-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)N(C)CC2=CC=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC2=CC=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5/c1-3-31-23(28)19-13-18(14-21(15-19)26(29)30)22(27)24(2)16-17-7-9-20(10-8-17)25-11-5-4-6-12-25/h7-10,13-15H,3-6,11-12,16H2,1-2H3