2-[4-[(5,6-diphenyl-1,2,4-triazin-3-yl)-propan-2-yl-amino]butoxy]ethanoic acid

Systemtic Name: 2-[4-[(5,6-diphenyl-1,2,4-triazin-3-yl)-propan-2-yl-amino]butoxy]ethanoic acid Openeye Name: 2-[4-[(5,6-diphenyl-1,2,4-triazin-3-yl)-isopropyl-amino]butoxy]acetic acid CAS Name: 2-[4-[(5,6-diphenyl-1,2,4-triazin-3-yl)-propan-2-ylamino]butoxy]acetic acid IUPAC Name: 2-[4-[(5,6-diphenyl-1,2,4-triazin-3-yl)-propan-2-ylamino]butoxy]acetic acid Traditional Name: 2-[4-[(5,6-diphenyl-1,2,4-triazin-3-yl)-isopropyl-amino]butoxy]acetic acid Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCCOCC(=O)O)C1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)N(CCCCOCC(=O)O)C1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H28N4O3/c1-18(2)28(15-9-10-16-31-17-21(29)30)24-25-22(19-11-5-3-6-12-19)23(26-27-24)20-13-7-4-8-14-20/h3-8,11-14,18H,9-10,15-17H2,1-2H3,(H,29,30)