[3-(4-azanyl-1H-benzimidazol-2-yl)-3-(2-ethylpentyl)oxiran-2-yl]phosphonic acid

Systemtic Name: [3-(4-azanyl-1H-benzimidazol-2-yl)-3-(2-ethylpentyl)oxiran-2-yl]phosphonic acid Openeye Name: [3-(4-amino-1H-benzimidazol-2-yl)-3-(2-ethylpentyl)oxiran-2-yl]phosphonic acid CAS Name: [3-(4-amino-1H-benzimidazol-2-yl)-3-(2-ethylpentyl)-2-oxiranyl]phosphonic acid IUPAC Name: [3-(4-amino-1H-benzimidazol-2-yl)-3-(2-ethylpentyl)oxiran-2-yl]phosphonic acid Traditional Name: [3-(4-amino-1H-benzimidazol-2-yl)-3-(2-ethylpentyl)oxiran-2-yl]phosphonic acid Formula: C16H24N3O4P MolecularWeight: 353.353221

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)CC1(C(O1)P(=O)(O)O)C2=NC3=C(N2)C=CC=C3N

Isomeric SMILES

CCCC(CC)CC1(C(O1)P(=O)(O)O)C2=NC3=C(N2)C=CC=C3N

InChI

InChI=1S/C16H24N3O4P/c1-3-6-10(4-2)9-16(15(23-16)24(20,21)22)14-18-12-8-5-7-11(17)13(12)19-14/h5,7-8,10,15H,3-4,6,9,17H2,1-2H3,(H,18,19)(H2,20,21,22)