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

Systemtic Name: 3-[4-[2-(4-dimethylaminophenyl)ethyl]-3-(1-methylindazol-5-yl)phenyl]propanoic acid Openeye Name: 3-[4-[2-(4-dimethylaminophenyl)ethyl]-3-(1-methylindazol-5-yl)phenyl]propanoic acid CAS Name: 3-[4-[2-(4-dimethylaminophenyl)ethyl]-3-(1-methyl-5-indazolyl)phenyl]propanoic acid IUPAC Name: 3-[4-[2-(4-dimethylaminophenyl)ethyl]-3-(1-methylindazol-5-yl)phenyl]propanoic acid Traditional Name: 3-[4-[2-(4-dimethylaminophenyl)ethyl]-3-(1-methylindazol-5-yl)phenyl]propionic acid Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=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

CN1C2=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/C27H29N3O2/c1-29(2)24-12-6-19(7-13-24)4-9-21-10-5-20(8-15-27(31)32)16-25(21)22-11-14-26-23(17-22)18-28-30(26)3/h5-7,10-14,16-18H,4,8-9,15H2,1-3H3,(H,31,32)