O3-tert-butyl O1-ethyl (1R,2S)-4-methyl-2-(2-nitrophenyl)-6-piperidin-1-yl-cyclohexa-3,5-diene-1,3-dicarboxylate

Systemtic Name: O3-tert-butyl O1-ethyl (1R,2S)-4-methyl-2-(2-nitrophenyl)-6-piperidin-1-yl-cyclohexa-3,5-diene-1,3-dicarboxylate Openeye Name: O3-tert-butyl O1-ethyl (1R,2S)-4-methyl-2-(2-nitrophenyl)-6-(1-piperidyl)cyclohexa-3,5-diene-1,3-dicarboxylate CAS Name: (1R,2S)-4-methyl-2-(2-nitrophenyl)-6-(1-piperidinyl)cyclohexa-3,5-diene-1,3-dicarboxylic acid O3-tert-butyl ester O1-ethyl ester IUPAC Name: 3-O-tert-butyl 1-O-ethyl (1R,2S)-4-methyl-2-(2-nitrophenyl)-6-piperidin-1-ylcyclohexa-3,5-diene-1,3-dicarboxylate Traditional Name: (1R,2S)-4-methyl-2-(2-nitrophenyl)-6-piperidino-cyclohexa-3,5-diene-1,3-dicarboxylic acid O3-tert-butyl ester O1-ethyl ester Formula: C26H34N2O6 MolecularWeight: 470.55796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(C=C1N2CCCCC2)C)C(=O)OC(C)(C)C)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](C(=C(C=C1N2CCCCC2)C)C(=O)OC(C)(C)C)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C26H34N2O6/c1-6-33-24(29)23-20(27-14-10-7-11-15-27)16-17(2)21(25(30)34-26(3,4)5)22(23)18-12-8-9-13-19(18)28(31)32/h8-9,12-13,16,22-23H,6-7,10-11,14-15H2,1-5H3/t22-,23-/m0/s1