N-(3-chloranyl-4-methoxy-phenyl)-2-(3-imidazol-1-ylpropylamino)ethanamide; ethanedioic acid

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-(3-imidazol-1-ylpropylamino)ethanamide; ethanedioic acid Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-(3-imidazol-1-ylpropylamino)acetamide; oxalic acid CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[3-(1-imidazolyl)propylamino]acetamide; oxalic acid IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-(3-imidazol-1-ylpropylamino)acetamide; oxalic acid Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-(3-imidazol-1-ylpropylamino)acetamide; oxalic acid Formula: C17H21ClN4O6 MolecularWeight: 412.82484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CNCCCN2C=CN=C2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CNCCCN2C=CN=C2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H19ClN4O2.C2H2O4/c1-22-14-4-3-12(9-13(14)16)19-15(21)10-17-5-2-7-20-8-6-18-11-20;3-1(4)2(5)6/h3-4,6,8-9,11,17H,2,5,7,10H2,1H3,(H,19,21);(H,3,4)(H,5,6)