3-[4-[(2Z)-2-(1,2-dihydroindazol-3-ylidene)benzimidazol-5-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(2Z)-2-(1,2-dihydroindazol-3-ylidene)benzimidazol-5-yl]phenyl]propanoic acid Openeye Name: 3-[4-[(2Z)-2-(1,2-dihydroindazol-3-ylidene)benzimidazol-5-yl]phenyl]propanoic acid CAS Name: 3-[4-[(2Z)-2-(1,2-dihydroindazol-3-ylidene)-5-benzimidazolyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(2Z)-2-(1,2-dihydroindazol-3-ylidene)benzimidazol-5-yl]phenyl]propanoic acid Traditional Name: 3-[4-[(2Z)-2-indazolin-3-ylidenebenzimidazol-5-yl]phenyl]propionic acid Formula: C23H18N4O2 MolecularWeight: 382.41462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3N=C4C=CC(=CC4=N3)C5=CC=C(C=C5)CCC(=O)O)NN2

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C/3\N=C4C=CC(=CC4=N3)C5=CC=C(C=C5)CCC(=O)O)/NN2

InChI

InChI=1S/C23H18N4O2/c28-21(29)12-7-14-5-8-15(9-6-14)16-10-11-19-20(13-16)25-23(24-19)22-17-3-1-2-4-18(17)26-27-22/h1-6,8-11,13,26-27H,7,12H2,(H,28,29)/b23-22-