octan-3-yl 4-(1,3,5-triazin-2-ylamino)benzoate

Systemtic Name: octan-3-yl 4-(1,3,5-triazin-2-ylamino)benzoate Openeye Name: 1-ethylhexyl 4-(1,3,5-triazin-2-ylamino)benzoate CAS Name: 4-(1,3,5-triazin-2-ylamino)benzoic acid octan-3-yl ester IUPAC Name: octan-3-yl 4-(1,3,5-triazin-2-ylamino)benzoate Traditional Name: 4-(s-triazin-2-ylamino)benzoic acid 1-ethylhexyl ester Formula: C18H24N4O2 MolecularWeight: 328.40876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)OC(=O)C1=CC=C(C=C1)NC2=NC=NC=N2

Isomeric SMILES

CCCCCC(CC)OC(=O)C1=CC=C(C=C1)NC2=NC=NC=N2

InChI

InChI=1S/C18H24N4O2/c1-3-5-6-7-16(4-2)24-17(23)14-8-10-15(11-9-14)22-18-20-12-19-13-21-18/h8-13,16H,3-7H2,1-2H3,(H,19,20,21,22)