ethanedioate; 2-[4-[[1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-yl]amino]azepan-1-yl]ethanol

Systemtic Name: ethanedioate; 2-[4-[[1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-yl]amino]azepan-1-yl]ethanol Openeye Name: 2-[4-[[1-[(5-methyl-2-furyl)methyl]benzimidazol-2-yl]amino]azepan-1-yl]ethanol; oxalate CAS Name: 2-[4-[[1-[(5-methyl-2-furanyl)methyl]-2-benzimidazolyl]amino]-1-azepanyl]ethanol; oxalate IUPAC Name: 2-[4-[[1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-yl]amino]azepan-1-yl]ethanol; oxalate Traditional Name: 2-[4-[[1-[(5-methyl-2-furyl)methyl]benzimidazol-2-yl]amino]azepan-1-yl]ethanol; oxalate Formula: C25H28N4O10-4 MolecularWeight: 544.51062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN2C3=CC=CC=C3N=C2NC4CCCN(CC4)CCO.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC1=CC=C(O1)CN2C3=CC=CC=C3N=C2NC4CCCN(CC4)CCO.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C21H28N4O2.2C2H2O4/c1-16-8-9-18(27-16)15-25-20-7-3-2-6-19(20)23-21(25)22-17-5-4-11-24(12-10-17)13-14-26;2*3-1(4)2(5)6/h2-3,6-9,17,26H,4-5,10-15H2,1H3,(H,22,23);2*(H,3,4)(H,5,6)/p-4