3-[[tert-butyl-(2-propylindazol-3-yl)-quinolin-8-yloxy-$l^{5}-phosphanylidene]amino]benzoic acid

Systemtic Name: 3-[[tert-butyl-(2-propylindazol-3-yl)-quinolin-8-yloxy-$l^{5}-phosphanylidene]amino]benzoic acid Openeye Name: 3-[[tert-butyl-(2-propylindazol-3-yl)-(8-quinolyloxy)-$l^{5}-phosphanylidene]amino]benzoic acid CAS Name: 3-[[tert-butyl-(2-propyl-3-indazolyl)-(8-quinolinyloxy)phosphoranylidene]amino]benzoic acid IUPAC Name: 3-[[tert-butyl-(2-propylindazol-3-yl)-quinolin-8-yloxy-$l^{5}-phosphanylidene]amino]benzoic acid Traditional Name: 3-[[tert-butyl-(2-propylindazol-3-yl)-(8-quinolyloxy)phosphoranylidene]amino]benzoic acid Formula: C30H31N4O3P MolecularWeight: 526.565901

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C2C=CC=CC2=N1)P(=NC3=CC=CC(=C3)C(=O)O)(C(C)(C)C)OC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCCN1C(=C2C=CC=CC2=N1)[P@](=NC3=CC=CC(=C3)C(=O)O)(C(C)(C)C)OC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C30H31N4O3P/c1-5-19-34-28(24-15-6-7-16-25(24)32-34)38(30(2,3)4,33-23-14-8-12-22(20-23)29(35)36)37-26-17-9-11-21-13-10-18-31-27(21)26/h6-18,20H,5,19H2,1-4H3,(H,35,36)/t38-/m1/s1