ethanedioic acid; 1-ethyl-2-(3-methoxyphenyl)-N,2-dimethyl-cyclohexan-1-amine; hydrate

Systemtic Name: ethanedioic acid; 1-ethyl-2-(3-methoxyphenyl)-N,2-dimethyl-cyclohexan-1-amine; hydrate Openeye Name: 1-ethyl-2-(3-methoxyphenyl)-N,2-dimethyl-cyclohexanamine; oxalic acid; hydrate CAS Name: 1-ethyl-2-(3-methoxyphenyl)-N,2-dimethyl-1-cyclohexanamine; oxalic acid; hydrate IUPAC Name: 1-ethyl-2-(3-methoxyphenyl)-N,2-dimethylcyclohexan-1-amine; oxalic acid; hydrate Traditional Name: [1-ethyl-2-(3-methoxyphenyl)-2-methyl-cyclohexyl]-methyl-amine; oxalic acid; hydrate Formula: C19H31NO6 MolecularWeight: 369.45254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCC1(C)C2=CC(=CC=C2)OC)NC.C(=O)(C(=O)O)O.O

Isomeric SMILES

CCC1(CCCCC1(C)C2=CC(=CC=C2)OC)NC.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C17H27NO.C2H2O4.H2O/c1-5-17(18-3)12-7-6-11-16(17,2)14-9-8-10-15(13-14)19-4;3-1(4)2(5)6;/h8-10,13,18H,5-7,11-12H2,1-4H3;(H,3,4)(H,5,6);1H2