benzoic acid; 1-[2-(1H-indazol-4-ylamino)ethylamino]-3-phenoxy-propan-2-ol

Systemtic Name: benzoic acid; 1-[2-(1H-indazol-4-ylamino)ethylamino]-3-phenoxy-propan-2-ol Openeye Name: benzoic acid; 1-[2-(1H-indazol-4-ylamino)ethylamino]-3-phenoxy-propan-2-ol CAS Name: benzoic acid; 1-[2-(1H-indazol-4-ylamino)ethylamino]-3-phenoxy-2-propanol IUPAC Name: benzoic acid; 1-[2-(1H-indazol-4-ylamino)ethylamino]-3-phenoxypropan-2-ol Traditional Name: benzoic acid; 1-[2-(1H-indazol-4-ylamino)ethylamino]-3-phenoxy-propan-2-ol Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)OCC(CNCCNC2=CC=CC3=C2C=NN3)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)OCC(CNCCNC2=CC=CC3=C2C=NN3)O

InChI

InChI=1S/C18H22N4O2.C7H6O2/c23-14(13-24-15-5-2-1-3-6-15)11-19-9-10-20-17-7-4-8-18-16(17)12-21-22-18;8-7(9)6-4-2-1-3-5-6/h1-8,12,14,19-20,23H,9-11,13H2,(H,21,22);1-5H,(H,8,9)