ethanedioic acid; N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine

Systemtic Name: ethanedioic acid; N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine Openeye Name: oxalic acid; N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine CAS Name: oxalic acid; N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine IUPAC Name: oxalic acid; N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine Traditional Name: cycloheptyl-(2,4,5-trimethoxybenzyl)amine; oxalic acid Formula: C19H29NO7 MolecularWeight: 383.43606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC2CCCCCC2)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1CNC2CCCCCC2)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H27NO3.C2H2O4/c1-19-15-11-17(21-3)16(20-2)10-13(15)12-18-14-8-6-4-5-7-9-14;3-1(4)2(5)6/h10-11,14,18H,4-9,12H2,1-3H3;(H,3,4)(H,5,6)