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

Systemtic Name: 3-[4-[2-(4-dimethylaminophenyl)ethyl]-3-(1-ethylindazol-5-yl)phenyl]propanoic acid Openeye Name: 3-[4-[2-(4-dimethylaminophenyl)ethyl]-3-(1-ethylindazol-5-yl)phenyl]propanoic acid CAS Name: 3-[4-[2-(4-dimethylaminophenyl)ethyl]-3-(1-ethyl-5-indazolyl)phenyl]propanoic acid IUPAC Name: 3-[4-[2-(4-dimethylaminophenyl)ethyl]-3-(1-ethylindazol-5-yl)phenyl]propanoic acid Traditional Name: 3-[4-[2-(4-dimethylaminophenyl)ethyl]-3-(1-ethylindazol-5-yl)phenyl]propionic acid Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C3=C(C=CC(=C3)CCC(=O)O)CCC4=CC=C(C=C4)N(C)C)C=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C3=C(C=CC(=C3)CCC(=O)O)CCC4=CC=C(C=C4)N(C)C)C=N1

InChI

InChI=1S/C28H31N3O2/c1-4-31-27-15-12-23(18-24(27)19-29-31)26-17-21(9-16-28(32)33)6-11-22(26)10-5-20-7-13-25(14-8-20)30(2)3/h6-8,11-15,17-19H,4-5,9-10,16H2,1-3H3,(H,32,33)