(2-naphthalen-1-yl-2-oxidanylidene-ethyl) 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (2-naphthalen-1-yl-2-oxidanylidene-ethyl) 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(1-naphthyl)-2-oxo-ethyl] 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid [2-(1-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-1-yl-2-oxoethyl) 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid [2-keto-2-(1-naphthyl)ethyl] ester Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-])C

InChI

InChI=1S/C26H26N2O5/c1-17-12-18(2)15-27(14-17)23-11-10-20(13-24(23)28(31)32)26(30)33-16-25(29)22-9-5-7-19-6-3-4-8-21(19)22/h3-11,13,17-18H,12,14-16H2,1-2H3