benzoic acid; 1-[3-(3,4-dimethoxyphenyl)propylamino]-3-(1H-indazol-4-yloxy)propan-2-ol

Systemtic Name: benzoic acid; 1-[3-(3,4-dimethoxyphenyl)propylamino]-3-(1H-indazol-4-yloxy)propan-2-ol Openeye Name: benzoic acid; 1-[3-(3,4-dimethoxyphenyl)propylamino]-3-(1H-indazol-4-yloxy)propan-2-ol CAS Name: benzoic acid; 1-[3-(3,4-dimethoxyphenyl)propylamino]-3-(1H-indazol-4-yloxy)-2-propanol IUPAC Name: benzoic acid; 1-[3-(3,4-dimethoxyphenyl)propylamino]-3-(1H-indazol-4-yloxy)propan-2-ol Traditional Name: benzoic acid; 1-[3-(3,4-dimethoxyphenyl)propylamino]-3-(1H-indazol-4-yloxy)propan-2-ol Formula: C28H33N3O6 MolecularWeight: 507.57812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCCNCC(COC2=CC=CC3=C2C=NN3)O)OC.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCCNCC(COC2=CC=CC3=C2C=NN3)O)OC.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C21H27N3O4.C7H6O2/c1-26-20-9-8-15(11-21(20)27-2)5-4-10-22-12-16(25)14-28-19-7-3-6-18-17(19)13-23-24-18;8-7(9)6-4-2-1-3-5-6/h3,6-9,11,13,16,22,25H,4-5,10,12,14H2,1-2H3,(H,23,24);1-5H,(H,8,9)