ethanedioic acid; 1-[2-[4-methyl-2-(phenylmethyl)phenoxy]ethylamino]propan-2-ol

Systemtic Name: ethanedioic acid; 1-[2-[4-methyl-2-(phenylmethyl)phenoxy]ethylamino]propan-2-ol Openeye Name: 1-[2-(2-benzyl-4-methyl-phenoxy)ethylamino]propan-2-ol; oxalic acid CAS Name: 1-[2-[4-methyl-2-(phenylmethyl)phenoxy]ethylamino]-2-propanol; oxalic acid IUPAC Name: 1-[2-(2-benzyl-4-methylphenoxy)ethylamino]propan-2-ol; oxalic acid Traditional Name: 1-[2-(2-benzyl-4-methyl-phenoxy)ethylamino]propan-2-ol; oxalic acid Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCNCC(C)O)CC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCNCC(C)O)CC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H25NO2.C2H2O4/c1-15-8-9-19(22-11-10-20-14-16(2)21)18(12-15)13-17-6-4-3-5-7-17;3-1(4)2(5)6/h3-9,12,16,20-21H,10-11,13-14H2,1-2H3;(H,3,4)(H,5,6)