3-[3-azanyl-5-(1-ethylindazol-5-yl)-4-(1-phenylethoxy)phenyl]propanoic acid

Systemtic Name: 3-[3-azanyl-5-(1-ethylindazol-5-yl)-4-(1-phenylethoxy)phenyl]propanoic acid Openeye Name: 3-[3-amino-5-(1-ethylindazol-5-yl)-4-(1-phenylethoxy)phenyl]propanoic acid CAS Name: 3-[3-amino-5-(1-ethyl-5-indazolyl)-4-(1-phenylethoxy)phenyl]propanoic acid IUPAC Name: 3-[3-amino-5-(1-ethylindazol-5-yl)-4-(1-phenylethoxy)phenyl]propanoic acid Traditional Name: 3-[3-amino-5-(1-ethylindazol-5-yl)-4-(1-phenylethoxy)phenyl]propionic acid Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C3=CC(=CC(=C3OC(C)C4=CC=CC=C4)N)CCC(=O)O)C=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C3=CC(=CC(=C3OC(C)C4=CC=CC=C4)N)CCC(=O)O)C=N1

InChI

InChI=1S/C26H27N3O3/c1-3-29-24-11-10-20(15-21(24)16-28-29)22-13-18(9-12-25(30)31)14-23(27)26(22)32-17(2)19-7-5-4-6-8-19/h4-8,10-11,13-17H,3,9,12,27H2,1-2H3,(H,30,31)