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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]cycloheptanamine; ethanedioic acid Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]cycloheptanamine; oxalic acid CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]cycloheptanamine; oxalic acid IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]cycloheptanamine; oxalic acid Traditional Name: cycloheptyl(homoveratryl)amine; oxalic acid Formula: C19H29NO6 MolecularWeight: 367.43666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2CCCCCC2)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2CCCCCC2)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H27NO2.C2H2O4/c1-19-16-10-9-14(13-17(16)20-2)11-12-18-15-7-5-3-4-6-8-15;3-1(4)2(5)6/h9-10,13,15,18H,3-8,11-12H2,1-2H3;(H,3,4)(H,5,6)