ethanedioic acid; 3-(1-imidazol-1-ylpentyl)-1,2-benzoxazole

Systemtic Name: ethanedioic acid; 3-(1-imidazol-1-ylpentyl)-1,2-benzoxazole Openeye Name: 3-(1-imidazol-1-ylpentyl)-1,2-benzoxazole; oxalic acid CAS Name: 3-[1-(1-imidazolyl)pentyl]-1,2-benzoxazole; oxalic acid IUPAC Name: 3-(1-imidazol-1-ylpentyl)-1,2-benzoxazole; oxalic acid Traditional Name: 3-(1-imidazol-1-ylpentyl)indoxazene; oxalic acid Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=NOC2=CC=CC=C21)N3C=CN=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCC(C1=NOC2=CC=CC=C21)N3C=CN=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H17N3O.C2H2O4/c1-2-3-7-13(18-10-9-16-11-18)15-12-6-4-5-8-14(12)19-17-15;3-1(4)2(5)6/h4-6,8-11,13H,2-3,7H2,1H3;(H,3,4)(H,5,6)