phenethyl-[[(phenylmethyl)amino]-quinolin-8-yl-methyl]phosphinic acid

Systemtic Name: phenethyl-[[(phenylmethyl)amino]-quinolin-8-yl-methyl]phosphinic acid Openeye Name: [(benzylamino)-(8-quinolyl)methyl]-phenethyl-phosphinic acid CAS Name: phenethyl-[[(phenylmethyl)amino]-(8-quinolinyl)methyl]phosphinic acid IUPAC Name: [(benzylamino)-quinolin-8-ylmethyl]-phenethylphosphinic acid Traditional Name: [(benzylamino)-(8-quinolyl)methyl]-phenethyl-phosphinic acid Formula: C25H25N2O2P MolecularWeight: 416.451961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCP(=O)(C(C2=CC=CC3=C2N=CC=C3)NCC4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CCP(=O)(C(C2=CC=CC3=C2N=CC=C3)NCC4=CC=CC=C4)O

InChI

InChI=1S/C25H25N2O2P/c28-30(29,18-16-20-9-3-1-4-10-20)25(27-19-21-11-5-2-6-12-21)23-15-7-13-22-14-8-17-26-24(22)23/h1-15,17,25,27H,16,18-19H2,(H,28,29)