ethanedioic acid; 4-(2-imidazol-1-ylethoxy)-3-[2-oxidanylpropyl(propan-2-yl)amino]phenol

Systemtic Name: ethanedioic acid; 4-(2-imidazol-1-ylethoxy)-3-[2-oxidanylpropyl(propan-2-yl)amino]phenol Openeye Name: 3-[2-hydroxypropyl(isopropyl)amino]-4-(2-imidazol-1-ylethoxy)phenol; oxalic acid CAS Name: 3-[2-hydroxypropyl(propan-2-yl)amino]-4-[2-(1-imidazolyl)ethoxy]phenol; oxalic acid IUPAC Name: 3-[2-hydroxypropyl(propan-2-yl)amino]-4-(2-imidazol-1-ylethoxy)phenol; oxalic acid Traditional Name: 3-[2-hydroxypropyl(isopropyl)amino]-4-(2-imidazol-1-ylethoxy)phenol; oxalic acid Formula: C21H29N3O11 MolecularWeight: 499.46846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(C)O)C1=C(C=CC(=C1)O)OCCN2C=CN=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)N(CC(C)O)C1=C(C=CC(=C1)O)OCCN2C=CN=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H25N3O3.2C2H2O4/c1-13(2)20(11-14(3)21)16-10-15(22)4-5-17(16)23-9-8-19-7-6-18-12-19;2*3-1(4)2(5)6/h4-7,10,12-14,21-22H,8-9,11H2,1-3H3;2*(H,3,4)(H,5,6)