1-(cyclooctylamino)-3-(4-methylphenoxy)propan-2-ol; ethanedioic acid

Systemtic Name: 1-(cyclooctylamino)-3-(4-methylphenoxy)propan-2-ol; ethanedioic acid Openeye Name: 1-(cyclooctylamino)-3-(4-methylphenoxy)propan-2-ol; oxalic acid CAS Name: 1-(cyclooctylamino)-3-(4-methylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-(cyclooctylamino)-3-(4-methylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-(cyclooctylamino)-3-(4-methylphenoxy)propan-2-ol; oxalic acid Formula: C20H31NO6 MolecularWeight: 381.46324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO2.C2H2O4/c1-15-9-11-18(12-10-15)21-14-17(20)13-19-16-7-5-3-2-4-6-8-16;3-1(4)2(5)6/h9-12,16-17,19-20H,2-8,13-14H2,1H3;(H,3,4)(H,5,6)