N-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-cyclohexan-1-amine; ethanedioic acid

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-cyclohexan-1-amine; ethanedioic acid Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-cyclohexanamine; oxalic acid CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-1-cyclohexanamine; oxalic acid IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-phenylcyclohexan-1-amine; oxalic acid Traditional Name: oxalic acid; (4-phenylcyclohexyl)-piperonyl-amine Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)NCC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)NCC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23NO2.C2H2O4/c1-2-4-16(5-3-1)17-7-9-18(10-8-17)21-13-15-6-11-19-20(12-15)23-14-22-19;3-1(4)2(5)6/h1-6,11-12,17-18,21H,7-10,13-14H2;(H,3,4)(H,5,6)