ethanedioic acid; 2-[2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenoxy]-N-phenyl-ethanamide

Systemtic Name: ethanedioic acid; 2-[2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenoxy]-N-phenyl-ethanamide Openeye Name: 2-[2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenoxy]-N-phenyl-acetamide; oxalic acid CAS Name: 2-[2-ethoxy-4-[[3-(1-imidazolyl)propylamino]methyl]phenoxy]-N-phenylacetamide; oxalic acid IUPAC Name: 2-[2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenoxy]-N-phenylacetamide; oxalic acid Traditional Name: 2-[2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenoxy]-N-phenyl-acetamide; oxalic acid Formula: C25H30N4O7 MolecularWeight: 498.5283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNCCCN2C=CN=C2)OCC(=O)NC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNCCCN2C=CN=C2)OCC(=O)NC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H28N4O3.C2H2O4/c1-2-29-22-15-19(16-24-11-6-13-27-14-12-25-18-27)9-10-21(22)30-17-23(28)26-20-7-4-3-5-8-20;3-1(4)2(5)6/h3-5,7-10,12,14-15,18,24H,2,6,11,13,16-17H2,1H3,(H,26,28);(H,3,4)(H,5,6)