[2-(diethylaminomethyl)-5,5-dimethyl-4-oxidanyl-cyclohexyl] benzoate; ethanedioic acid

Systemtic Name: [2-(diethylaminomethyl)-5,5-dimethyl-4-oxidanyl-cyclohexyl] benzoate; ethanedioic acid Openeye Name: [2-(diethylaminomethyl)-4-hydroxy-5,5-dimethyl-cyclohexyl] benzoate; oxalic acid CAS Name: benzoic acid [2-(diethylaminomethyl)-4-hydroxy-5,5-dimethylcyclohexyl] ester; oxalic acid IUPAC Name: [2-(diethylaminomethyl)-4-hydroxy-5,5-dimethylcyclohexyl] benzoate; oxalic acid Traditional Name: benzoic acid [2-(diethylaminomethyl)-4-hydroxy-5,5-dimethyl-cyclohexyl] ester; oxalic acid Formula: C22H33NO7 MolecularWeight: 423.49992

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1CC(C(CC1OC(=O)C2=CC=CC=C2)(C)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CC1CC(C(CC1OC(=O)C2=CC=CC=C2)(C)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H31NO3.C2H2O4/c1-5-21(6-2)14-16-12-18(22)20(3,4)13-17(16)24-19(23)15-10-8-7-9-11-15;3-1(4)2(5)6/h7-11,16-18,22H,5-6,12-14H2,1-4H3;(H,3,4)(H,5,6)