O3-[(1S,2R,5R)-2-methyl-5-propan-2-yl-cyclohexyl] O2-(phenylmethyl) 3,4-dihydropyrazole-2,3-dicarboxylate

Systemtic Name: O3-[(1S,2R,5R)-2-methyl-5-propan-2-yl-cyclohexyl] O2-(phenylmethyl) 3,4-dihydropyrazole-2,3-dicarboxylate Openeye Name: O2-benzyl O3-[(1S,2R,5R)-5-isopropyl-2-methyl-cyclohexyl] 3,4-dihydropyrazole-2,3-dicarboxylate CAS Name: 3,4-dihydropyrazole-2,3-dicarboxylic acid O3-[(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl] ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 3-O-[(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl] 3,4-dihydropyrazole-2,3-dicarboxylate Traditional Name: 2-pyrazoline-1,5-dicarboxylic acid O1-benzyl ester O5-[(1S,2R,5R)-5-isopropyl-2-methyl-cyclohexyl] ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1OC(=O)C2CC=NN2C(=O)OCC3=CC=CC=C3)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H](C[C@@H]1OC(=O)C2CC=NN2C(=O)OCC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C22H30N2O4/c1-15(2)18-10-9-16(3)20(13-18)28-21(25)19-11-12-23-24(19)22(26)27-14-17-7-5-4-6-8-17/h4-8,12,15-16,18-20H,9-11,13-14H2,1-3H3/t16-,18-,19?,20+/m1/s1