[(1R,2S)-2-(2,3,4-trimethoxyphenyl)cycloheptyl] 4-nitrobenzoate

Systemtic Name: [(1R,2S)-2-(2,3,4-trimethoxyphenyl)cycloheptyl] 4-nitrobenzoate Openeye Name: [(1R,2S)-2-(2,3,4-trimethoxyphenyl)cycloheptyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,2S)-2-(2,3,4-trimethoxyphenyl)cycloheptyl] ester IUPAC Name: [(1R,2S)-2-(2,3,4-trimethoxyphenyl)cycloheptyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,2S)-2-(2,3,4-trimethoxyphenyl)cycloheptyl] ester Formula: C23H27NO7 MolecularWeight: 429.46298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2CCCCCC2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)[C@@H]2CCCCC[C@H]2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C23H27NO7/c1-28-20-14-13-18(21(29-2)22(20)30-3)17-7-5-4-6-8-19(17)31-23(25)15-9-11-16(12-10-15)24(26)27/h9-14,17,19H,4-8H2,1-3H3/t17-,19+/m0/s1