2-[(3-chloranyl-1-adamantyl)methylamino]-N-(2-methoxy-5-methyl-phenyl)ethanamide; ethanedioic acid

Systemtic Name: 2-[(3-chloranyl-1-adamantyl)methylamino]-N-(2-methoxy-5-methyl-phenyl)ethanamide; ethanedioic acid Openeye Name: 2-[(3-chloro-1-adamantyl)methylamino]-N-(2-methoxy-5-methyl-phenyl)acetamide; oxalic acid CAS Name: 2-[(3-chloro-1-adamantyl)methylamino]-N-(2-methoxy-5-methylphenyl)acetamide; oxalic acid IUPAC Name: 2-[(3-chloro-1-adamantyl)methylamino]-N-(2-methoxy-5-methylphenyl)acetamide; oxalic acid Traditional Name: 2-[(3-chloro-1-adamantyl)methylamino]-N-(2-methoxy-5-methyl-phenyl)acetamide; oxalic acid Formula: C23H31ClN2O6 MolecularWeight: 466.95504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CNCC23CC4CC(C2)CC(C4)(C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CNCC23CC4CC(C2)CC(C4)(C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H29ClN2O2.C2H2O4/c1-14-3-4-18(26-2)17(5-14)24-19(25)11-23-13-20-7-15-6-16(8-20)10-21(22,9-15)12-20;3-1(4)2(5)6/h3-5,15-16,23H,6-13H2,1-2H3,(H,24,25);(H,3,4)(H,5,6)