[2-oxidanylidene-2-(4-phenylphenyl)ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-oxo-2-(4-phenylphenyl)ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-keto-2-(4-phenylphenyl)ethyl] ester Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H26N2O5/c1-19-6-5-15-28(17-19)24-14-13-23(16-25(24)29(32)33)27(31)34-18-26(30)22-11-9-21(10-12-22)20-7-3-2-4-8-20/h2-4,7-14,16,19H,5-6,15,17-18H2,1H3