3-[3-azanyl-4-(2,3-dihydro-1H-inden-2-yloxy)-5-(1-ethylindazol-5-yl)phenyl]propanoic acid

Systemtic Name: 3-[3-azanyl-4-(2,3-dihydro-1H-inden-2-yloxy)-5-(1-ethylindazol-5-yl)phenyl]propanoic acid Openeye Name: 3-[3-amino-5-(1-ethylindazol-5-yl)-4-indan-2-yloxy-phenyl]propanoic acid CAS Name: 3-[3-amino-4-(2,3-dihydro-1H-inden-2-yloxy)-5-(1-ethyl-5-indazolyl)phenyl]propanoic acid IUPAC Name: 3-[3-amino-4-(2,3-dihydro-1H-inden-2-yloxy)-5-(1-ethylindazol-5-yl)phenyl]propanoic acid Traditional Name: 3-[3-amino-5-(1-ethylindazol-5-yl)-4-indan-2-yloxy-phenyl]propionic acid Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C3=CC(=CC(=C3OC4CC5=CC=CC=C5C4)N)CCC(=O)O)C=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C3=CC(=CC(=C3OC4CC5=CC=CC=C5C4)N)CCC(=O)O)C=N1

InChI

InChI=1S/C27H27N3O3/c1-2-30-25-9-8-20(13-21(25)16-29-30)23-11-17(7-10-26(31)32)12-24(28)27(23)33-22-14-18-5-3-4-6-19(18)15-22/h3-6,8-9,11-13,16,22H,2,7,10,14-15,28H2,1H3,(H,31,32)