3-[4-[2-(4-dimethylaminophenyl)ethyl]-3-(1H-indazol-5-yl)phenyl]propanoic acid

Systemtic Name: 3-[4-[2-(4-dimethylaminophenyl)ethyl]-3-(1H-indazol-5-yl)phenyl]propanoic acid Openeye Name: 3-[4-[2-(4-dimethylaminophenyl)ethyl]-3-(1H-indazol-5-yl)phenyl]propanoic acid CAS Name: 3-[4-[2-(4-dimethylaminophenyl)ethyl]-3-(1H-indazol-5-yl)phenyl]propanoic acid IUPAC Name: 3-[4-[2-(4-dimethylaminophenyl)ethyl]-3-(1H-indazol-5-yl)phenyl]propanoic acid Traditional Name: 3-[4-[2-(4-dimethylaminophenyl)ethyl]-3-(1H-indazol-5-yl)phenyl]propionic acid Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CCC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)NN=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CCC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)NN=C4

InChI

InChI=1S/C26H27N3O2/c1-29(2)23-11-5-18(6-12-23)3-8-20-9-4-19(7-14-26(30)31)15-24(20)21-10-13-25-22(16-21)17-27-28-25/h4-6,9-13,15-17H,3,7-8,14H2,1-2H3,(H,27,28)(H,30,31)