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

Systemtic Name: methyl 3-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-nitro-5-[4-[2-(p-tolyl)ethyl]piperidine-1-carbonyl]benzoate CAS Name: 3-[[4-[2-(4-methylphenyl)ethyl]-1-piperidinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-nitro-5-[4-[2-(p-tolyl)ethyl]piperidine-1-carbonyl]benzoic acid methyl ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C23H26N2O5/c1-16-3-5-17(6-4-16)7-8-18-9-11-24(12-10-18)22(26)19-13-20(23(27)30-2)15-21(14-19)25(28)29/h3-6,13-15,18H,7-12H2,1-2H3