[(1R)-2-[1-(dimethylaminomethyl)cyclohexyl]-1-phenyl-ethyl] 4-nitrobenzoate

Systemtic Name: [(1R)-2-[1-(dimethylaminomethyl)cyclohexyl]-1-phenyl-ethyl] 4-nitrobenzoate Openeye Name: [(1R)-2-[1-(dimethylaminomethyl)cyclohexyl]-1-phenyl-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R)-2-[1-(dimethylaminomethyl)cyclohexyl]-1-phenylethyl] ester IUPAC Name: [(1R)-2-[1-(dimethylaminomethyl)cyclohexyl]-1-phenylethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R)-2-[1-(dimethylaminomethyl)cyclohexyl]-1-phenyl-ethyl] ester Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1(CCCCC1)CC(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1(CCCCC1)C[C@H](C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H30N2O4/c1-25(2)18-24(15-7-4-8-16-24)17-22(19-9-5-3-6-10-19)30-23(27)20-11-13-21(14-12-20)26(28)29/h3,5-6,9-14,22H,4,7-8,15-18H2,1-2H3/t22-/m1/s1