3-[2-[(4-ethoxyphenyl)methyl]-5-nitro-benzimidazol-1-yl]butanoic acid

Systemtic Name: 3-[2-[(4-ethoxyphenyl)methyl]-5-nitro-benzimidazol-1-yl]butanoic acid Openeye Name: 3-[2-[(4-ethoxyphenyl)methyl]-5-nitro-benzimidazol-1-yl]butanoic acid CAS Name: 3-[2-[(4-ethoxyphenyl)methyl]-5-nitro-1-benzimidazolyl]butanoic acid IUPAC Name: 3-[2-[(4-ethoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]butanoic acid Traditional Name: 3-[2-(4-ethoxybenzyl)-5-nitro-benzimidazol-1-yl]butyric acid Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=NC3=C(N2C(C)CC(=O)O)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=NC3=C(N2C(C)CC(=O)O)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-3-28-16-7-4-14(5-8-16)11-19-21-17-12-15(23(26)27)6-9-18(17)22(19)13(2)10-20(24)25/h4-9,12-13H,3,10-11H2,1-2H3,(H,24,25)