O1-tert-butyl O2-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] pyrrole-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] pyrrole-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] pyrrole-1,2-dicarboxylate CAS Name: pyrrole-1,2-dicarboxylic acid O1-tert-butyl ester O2-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: 1-O-tert-butyl 2-O-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] pyrrole-1,2-dicarboxylate Traditional Name: pyrrole-1,2-dicarboxylic acid O1-tert-butyl ester O2-[(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C26H35NO4 MolecularWeight: 425.5604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC=CN2C(=O)OC(C)(C)C)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC=CN2C(=O)OC(C)(C)C)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C26H35NO4/c1-18-14-15-20(26(5,6)19-11-8-7-9-12-19)22(17-18)30-23(28)21-13-10-16-27(21)24(29)31-25(2,3)4/h7-13,16,18,20,22H,14-15,17H2,1-6H3/t18-,20-,22-/m1/s1