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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3=CC(=CC(=C3OC4CC5=CC=CC=C5C4)N)CCCC(=O)O)C=N1

Isomeric SMILES

CN1C2=C(C=C(C=C2)C3=CC(=CC(=C3OC4CC5=CC=CC=C5C4)N)CCCC(=O)O)C=N1

InChI

InChI=1S/C27H27N3O3/c1-30-25-10-9-20(13-21(25)16-29-30)23-11-17(5-4-8-26(31)32)12-24(28)27(23)33-22-14-18-6-2-3-7-19(18)15-22/h2-3,6-7,9-13,16,22H,4-5,8,14-15,28H2,1H3,(H,31,32)