4-[[7-[(E)-diazanylidenemethyl]-1-(pyrimidin-2-ylamino)naphthalen-2-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[7-[(E)-diazanylidenemethyl]-1-(pyrimidin-2-ylamino)naphthalen-2-yl]oxymethyl]benzoic acid Openeye Name: 4-[[7-[(E)-hydrazinylidenemethyl]-1-(pyrimidin-2-ylamino)-2-naphthyl]oxymethyl]benzoic acid CAS Name: 4-[[7-[(E)-hydrazinylidenemethyl]-1-(2-pyrimidinylamino)-2-naphthalenyl]oxymethyl]benzoic acid IUPAC Name: 4-[[7-[(E)-hydrazinylidenemethyl]-1-(pyrimidin-2-ylamino)naphthalen-2-yl]oxymethyl]benzoic acid Traditional Name: 4-[[7-[(E)-hydrazonomethyl]-1-(2-pyrimidylamino)-2-naphthoxy]methyl]benzoic acid Formula: C23H19N5O3 MolecularWeight: 413.42866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC2=C(C=CC3=C2C=C(C=C3)C=NN)OCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CN=C(N=C1)NC2=C(C=CC3=C2C=C(C=C3)/C=N/N)OCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H19N5O3/c24-27-13-16-4-5-17-8-9-20(31-14-15-2-6-18(7-3-15)22(29)30)21(19(17)12-16)28-23-25-10-1-11-26-23/h1-13H,14,24H2,(H,29,30)(H,25,26,28)/b27-13+