3-[5-[(E)-3-(oxidanylamino)-3-oxidanylidene-prop-1-enyl]-2-phenethyl-benzimidazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[(E)-3-(oxidanylamino)-3-oxidanylidene-prop-1-enyl]-2-phenethyl-benzimidazol-1-yl]propanoic acid Openeye Name: 3-[5-[(E)-3-(hydroxyamino)-3-oxo-prop-1-enyl]-2-phenethyl-benzimidazol-1-yl]propanoic acid CAS Name: 3-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-phenethyl-1-benzimidazolyl]propanoic acid IUPAC Name: 3-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-phenethylbenzimidazol-1-yl]propanoic acid Traditional Name: 3-[5-[(E)-3-(hydroxyamino)-3-keto-prop-1-enyl]-2-phenethyl-benzimidazol-1-yl]propionic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NC3=C(N2CCC(=O)O)C=CC(=C3)C=CC(=O)NO

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NC3=C(N2CCC(=O)O)C=CC(=C3)/C=C/C(=O)NO

InChI

InChI=1S/C21H21N3O4/c25-20(23-28)11-8-16-6-9-18-17(14-16)22-19(24(18)13-12-21(26)27)10-7-15-4-2-1-3-5-15/h1-6,8-9,11,14,28H,7,10,12-13H2,(H,23,25)(H,26,27)/b11-8+