benzoic acid; 1-[2-[(5-methyl-1H-indazol-4-yl)amino]ethylamino]-3-phenoxy-propan-2-ol

Systemtic Name: benzoic acid; 1-[2-[(5-methyl-1H-indazol-4-yl)amino]ethylamino]-3-phenoxy-propan-2-ol Openeye Name: benzoic acid; 1-[2-[(5-methyl-1H-indazol-4-yl)amino]ethylamino]-3-phenoxy-propan-2-ol CAS Name: benzoic acid; 1-[2-[(5-methyl-1H-indazol-4-yl)amino]ethylamino]-3-phenoxy-2-propanol IUPAC Name: benzoic acid; 1-[2-[(5-methyl-1H-indazol-4-yl)amino]ethylamino]-3-phenoxypropan-2-ol Traditional Name: benzoic acid; 1-[2-[(5-methyl-1H-indazol-4-yl)amino]ethylamino]-3-phenoxy-propan-2-ol Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)NN=C2)NCCNCC(COC3=CC=CC=C3)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)NN=C2)NCCNCC(COC3=CC=CC=C3)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C19H24N4O2.C7H6O2/c1-14-7-8-18-17(12-22-23-18)19(14)21-10-9-20-11-15(24)13-25-16-5-3-2-4-6-16;8-7(9)6-4-2-1-3-5-6/h2-8,12,15,20-21,24H,9-11,13H2,1H3,(H,22,23);1-5H,(H,8,9)