4-[[5-(hexanoylamino)indazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[5-(hexanoylamino)indazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-(hexanoylamino)indazol-1-yl]methyl]benzoic acid CAS Name: 4-[[5-(1-oxohexylamino)-1-indazolyl]methyl]benzoic acid IUPAC Name: 4-[[5-(hexanoylamino)indazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[5-(caproylamino)indazol-1-yl]methyl]benzoic acid Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC2=C(C=C1)N(N=C2)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCC(=O)NC1=CC2=C(C=C1)N(N=C2)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H23N3O3/c1-2-3-4-5-20(25)23-18-10-11-19-17(12-18)13-22-24(19)14-15-6-8-16(9-7-15)21(26)27/h6-13H,2-5,14H2,1H3,(H,23,25)(H,26,27)