4-[(E)-2-(1H-benzimidazol-2-yl)-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-3-morpholino-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-3-(4-morpholinyl)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-3-keto-3-morpholino-prop-1-enyl]benzoic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(=CC2=CC=C(C=C2)C(=O)O)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1COCCN1C(=O)/C(=C/C2=CC=C(C=C2)C(=O)O)/C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H19N3O4/c25-20(24-9-11-28-12-10-24)16(13-14-5-7-15(8-6-14)21(26)27)19-22-17-3-1-2-4-18(17)23-19/h1-8,13H,9-12H2,(H,22,23)(H,26,27)/b16-13+