ethyl 2-[3-[4-[6-bromanyl-2-heptyl-3,5-bis(oxidanylidene)-1,2,4-triazin-4-yl]butyl]phenoxy]-2-methyl-propanoate

Systemtic Name: ethyl 2-[3-[4-[6-bromanyl-2-heptyl-3,5-bis(oxidanylidene)-1,2,4-triazin-4-yl]butyl]phenoxy]-2-methyl-propanoate Openeye Name: ethyl 2-[3-[4-(6-bromo-2-heptyl-3,5-dioxo-1,2,4-triazin-4-yl)butyl]phenoxy]-2-methyl-propanoate CAS Name: 2-[3-[4-(6-bromo-2-heptyl-3,5-dioxo-1,2,4-triazin-4-yl)butyl]phenoxy]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[3-[4-(6-bromo-2-heptyl-3,5-dioxo-1,2,4-triazin-4-yl)butyl]phenoxy]-2-methylpropanoate Traditional Name: 2-[3-[4-(6-bromo-2-heptyl-3,5-diketo-1,2,4-triazin-4-yl)butyl]phenoxy]-2-methyl-propionic acid ethyl ester Formula: C26H38BrN3O5 MolecularWeight: 552.50102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)N(C(=O)C(=N1)Br)CCCCC2=CC(=CC=C2)OC(C)(C)C(=O)OCC

Isomeric SMILES

CCCCCCCN1C(=O)N(C(=O)C(=N1)Br)CCCCC2=CC(=CC=C2)OC(C)(C)C(=O)OCC

InChI

InChI=1S/C26H38BrN3O5/c1-5-7-8-9-11-18-30-25(33)29(23(31)22(27)28-30)17-12-10-14-20-15-13-16-21(19-20)35-26(3,4)24(32)34-6-2/h13,15-16,19H,5-12,14,17-18H2,1-4H3