1-(4-bromanylphenoxy)-3-(pentan-3-ylamino)propan-2-ol; ethanedioic acid

Systemtic Name: 1-(4-bromanylphenoxy)-3-(pentan-3-ylamino)propan-2-ol; ethanedioic acid Openeye Name: 1-(4-bromophenoxy)-3-(1-ethylpropylamino)propan-2-ol; oxalic acid CAS Name: 1-(4-bromophenoxy)-3-(pentan-3-ylamino)-2-propanol; oxalic acid IUPAC Name: 1-(4-bromophenoxy)-3-(pentan-3-ylamino)propan-2-ol; oxalic acid Traditional Name: 1-(4-bromophenoxy)-3-(1-ethylpropylamino)propan-2-ol; oxalic acid Formula: C16H24BrNO6 MolecularWeight: 406.26886

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCC(COC1=CC=C(C=C1)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CC)NCC(COC1=CC=C(C=C1)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H22BrNO2.C2H2O4/c1-3-12(4-2)16-9-13(17)10-18-14-7-5-11(15)6-8-14;3-1(4)2(5)6/h5-8,12-13,16-17H,3-4,9-10H2,1-2H3;(H,3,4)(H,5,6)