[5-(dimethylaminomethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] 4-nitrobenzoate

Systemtic Name: [5-(dimethylaminomethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] 4-nitrobenzoate Openeye Name: [5-(dimethylaminomethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-(dimethylaminomethyl)-1,2,5-trimethyl-4-phenyl-4-piperidinyl] ester IUPAC Name: [5-(dimethylaminomethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-(dimethylaminomethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] ester Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CN1C)(C)CN(C)C)(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CC(C(CN1C)(C)CN(C)C)(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H31N3O4/c1-18-15-24(20-9-7-6-8-10-20,23(2,16-25(3)4)17-26(18)5)31-22(28)19-11-13-21(14-12-19)27(29)30/h6-14,18H,15-17H2,1-5H3