1-[[(E)-3-[4-(1H-benzimidazol-2-ylamino)phenyl]prop-2-enoyl]amino]propyl-ethoxy-phosphinic acid

Systemtic Name: 1-[[(E)-3-[4-(1H-benzimidazol-2-ylamino)phenyl]prop-2-enoyl]amino]propyl-ethoxy-phosphinic acid Openeye Name: 1-[[(E)-3-[4-(1H-benzimidazol-2-ylamino)phenyl]prop-2-enoyl]amino]propyl-ethoxy-phosphinic acid CAS Name: 1-[[(E)-3-[4-(1H-benzimidazol-2-ylamino)phenyl]-1-oxoprop-2-enyl]amino]propyl-ethoxyphosphinic acid IUPAC Name: 1-[[(E)-3-[4-(1H-benzimidazol-2-ylamino)phenyl]prop-2-enoyl]amino]propyl-ethoxyphosphinic acid Traditional Name: 1-[[(E)-3-[4-(1H-benzimidazol-2-ylamino)phenyl]acryloyl]amino]propyl-ethoxy-phosphinic acid Formula: C21H25N4O4P MolecularWeight: 428.421361

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)C=CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N2)P(=O)(O)OCC

Isomeric SMILES

CCC(NC(=O)/C=C/C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N2)P(=O)(O)OCC

InChI

InChI=1S/C21H25N4O4P/c1-3-20(30(27,28)29-4-2)25-19(26)14-11-15-9-12-16(13-10-15)22-21-23-17-7-5-6-8-18(17)24-21/h5-14,20H,3-4H2,1-2H3,(H,25,26)(H,27,28)(H2,22,23,24)/b14-11+