ethanedioic acid; 1-(3-imidazol-1-ylpropylamino)-3-(3-methylphenoxy)propan-2-ol

Systemtic Name: ethanedioic acid; 1-(3-imidazol-1-ylpropylamino)-3-(3-methylphenoxy)propan-2-ol Openeye Name: 1-(3-imidazol-1-ylpropylamino)-3-(3-methylphenoxy)propan-2-ol; oxalic acid CAS Name: 1-[3-(1-imidazolyl)propylamino]-3-(3-methylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-(3-imidazol-1-ylpropylamino)-3-(3-methylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-(3-imidazol-1-ylpropylamino)-3-(3-methylphenoxy)propan-2-ol; oxalic acid Formula: C18H25N3O6 MolecularWeight: 379.4076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CNCCCN2C=CN=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CNCCCN2C=CN=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23N3O2.C2H2O4/c1-14-4-2-5-16(10-14)21-12-15(20)11-17-6-3-8-19-9-7-18-13-19;3-1(4)2(5)6/h2,4-5,7,9-10,13,15,17,20H,3,6,8,11-12H2,1H3;(H,3,4)(H,5,6)