N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexanamine; ethanedioic acid

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexanamine; ethanedioic acid Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexanamine; oxalic acid CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexanamine; oxalic acid IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexanamine; oxalic acid Traditional Name: cyclohexyl(homoveratryl)amine; oxalic acid Formula: C18H27NO6 MolecularWeight: 353.41008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2CCCCC2)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2CCCCC2)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25NO2.C2H2O4/c1-18-15-9-8-13(12-16(15)19-2)10-11-17-14-6-4-3-5-7-14;3-1(4)2(5)6/h8-9,12,14,17H,3-7,10-11H2,1-2H3;(H,3,4)(H,5,6)