(E)-4-oxidanylidene-4-(1-prop-2-ynylindol-3-yl)oxy-but-2-enoic acid; 4,5,6,7-tetrahydrobenzimidazol-2-ylidenemethanone

Systemtic Name: (E)-4-oxidanylidene-4-(1-prop-2-ynylindol-3-yl)oxy-but-2-enoic acid; 4,5,6,7-tetrahydrobenzimidazol-2-ylidenemethanone Openeye Name: (E)-4-oxo-4-(1-prop-2-ynylindol-3-yl)oxy-but-2-enoic acid; 4,5,6,7-tetrahydrobenzimidazol-2-ylidenemethanone CAS Name: (E)-4-oxo-4-[(1-prop-2-ynyl-3-indolyl)oxy]-2-butenoic acid; 4,5,6,7-tetrahydrobenzimidazol-2-ylidenemethanone IUPAC Name: (E)-4-oxo-4-(1-prop-2-ynylindol-3-yl)oxybut-2-enoic acid; 4,5,6,7-tetrahydrobenzimidazol-2-ylidenemethanone Traditional Name: (E)-4-keto-4-(1-propargylindol-3-yl)oxy-but-2-enoic acid; 4,5,6,7-tetrahydrobenzimidazol-2-ylidenemethanone Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=C(C2=CC=CC=C21)OC(=O)C=CC(=O)O.C1CCC2=NC(=C=O)N=C2C1

Isomeric SMILES

C#CCN1C=C(C2=CC=CC=C21)OC(=O)/C=C/C(=O)O.C1CCC2=NC(=C=O)N=C2C1

InChI

InChI=1S/C15H11NO4.C8H8N2O/c1-2-9-16-10-13(11-5-3-4-6-12(11)16)20-15(19)8-7-14(17)18;11-5-8-9-6-3-1-2-4-7(6)10-8/h1,3-8,10H,9H2,(H,17,18);1-4H2/b8-7+;