1-(cyclooctylamino)-3-(2,3,6-trimethylphenoxy)propan-2-ol; ethanedioic acid

Systemtic Name: 1-(cyclooctylamino)-3-(2,3,6-trimethylphenoxy)propan-2-ol; ethanedioic acid Openeye Name: 1-(cyclooctylamino)-3-(2,3,6-trimethylphenoxy)propan-2-ol; oxalic acid CAS Name: 1-(cyclooctylamino)-3-(2,3,6-trimethylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-(cyclooctylamino)-3-(2,3,6-trimethylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-(cyclooctylamino)-3-(2,3,6-trimethylphenoxy)propan-2-ol; oxalic acid Formula: C22H35NO6 MolecularWeight: 409.5164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC(CNC2CCCCCCC2)O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCC(CNC2CCCCCCC2)O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H33NO2.C2H2O4/c1-15-11-12-16(2)20(17(15)3)23-14-19(22)13-21-18-9-7-5-4-6-8-10-18;3-1(4)2(5)6/h11-12,18-19,21-22H,4-10,13-14H2,1-3H3;(H,3,4)(H,5,6)