12-oxidanylidene-12-[[2-[3-oxidanyl-3-phenyl-2-pyridin-2-yl-1-(pyridin-2-ylamino)propyl]phenyl]amino]dodecanoic acid

Systemtic Name: 12-oxidanylidene-12-[[2-[3-oxidanyl-3-phenyl-2-pyridin-2-yl-1-(pyridin-2-ylamino)propyl]phenyl]amino]dodecanoic acid Openeye Name: 12-[2-[3-hydroxy-3-phenyl-2-(2-pyridyl)-1-(2-pyridylamino)propyl]anilino]-12-oxo-dodecanoic acid CAS Name: 12-[2-[3-hydroxy-3-phenyl-2-(2-pyridinyl)-1-(2-pyridinylamino)propyl]anilino]-12-oxododecanoic acid IUPAC Name: 12-[2-[3-hydroxy-3-phenyl-2-pyridin-2-yl-1-(pyridin-2-ylamino)propyl]anilino]-12-oxododecanoic acid Traditional Name: 12-[2-[3-hydroxy-3-phenyl-2-(2-pyridyl)-1-(2-pyridylamino)propyl]anilino]-12-keto-lauric acid Formula: C37H44N4O4 MolecularWeight: 608.76966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C2=CC=CC=N2)C(C3=CC=CC=C3NC(=O)CCCCCCCCCCC(=O)O)NC4=CC=CC=N4)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(C2=CC=CC=N2)C(C3=CC=CC=C3NC(=O)CCCCCCCCCCC(=O)O)NC4=CC=CC=N4)O

InChI

InChI=1S/C37H44N4O4/c42-33(24-10-5-3-1-2-4-6-11-25-34(43)44)40-30-21-13-12-20-29(30)36(41-32-23-15-17-27-39-32)35(31-22-14-16-26-38-31)37(45)28-18-8-7-9-19-28/h7-9,12-23,26-27,35-37,45H,1-6,10-11,24-25H2,(H,39,41)(H,40,42)(H,43,44)