O1-cyclohexyl O4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylbutanedioate; ethanedioic acid

Systemtic Name: O1-cyclohexyl O4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylbutanedioate; ethanedioic acid Openeye Name: O1-cyclohexyl O4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylbutanedioate; oxalic acid CAS Name: oxalic acid; 2-phenylbutanedioic acid O1-cyclohexyl ester O4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: 1-O-cyclohexyl 4-O-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylbutanedioate; oxalic acid Traditional Name: oxalic acid; 2-phenylsuccinic acid O1-cyclohexyl ester O4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester Formula: C26H35NO8 MolecularWeight: 489.558

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1CC(C2)OC(=O)CC(C3=CC=CC=C3)C(=O)OC4CCCCC4.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C2CCC1CC(C2)OC(=O)CC(C3=CC=CC=C3)C(=O)OC4CCCCC4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H33NO4.C2H2O4/c1-25-18-12-13-19(25)15-21(14-18)28-23(26)16-22(17-8-4-2-5-9-17)24(27)29-20-10-6-3-7-11-20;3-1(4)2(5)6/h2,4-5,8-9,18-22H,3,6-7,10-16H2,1H3;(H,3,4)(H,5,6)