1-[(2R,4S)-4-methoxy-3-methylidene-octan-2-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione

Systemtic Name: 1-[(2R,4S)-4-methoxy-3-methylidene-octan-2-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione Openeye Name: 1-[(1R,3S)-3-methoxy-1-methyl-2-methylene-heptyl]-4-phenyl-1,2,4-triazolidine-3,5-dione CAS Name: 1-[(2R,4S)-4-methoxy-3-methyleneoctan-2-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione IUPAC Name: 1-[(2R,4S)-4-methoxy-3-methylideneoctan-2-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione Traditional Name: 1-[(1R)-2-[(1S)-1-methoxypentyl]-1-methyl-allyl]-4-phenyl-urazole Formula: C18H25N3O3 MolecularWeight: 331.4094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=C)C(C)N1C(=O)N(C(=O)N1)C2=CC=CC=C2)OC

Isomeric SMILES

CCCC[C@@H](C(=C)[C@@H](C)N1C(=O)N(C(=O)N1)C2=CC=CC=C2)OC

InChI

InChI=1S/C18H25N3O3/c1-5-6-12-16(24-4)13(2)14(3)21-18(23)20(17(22)19-21)15-10-8-7-9-11-15/h7-11,14,16H,2,5-6,12H2,1,3-4H3,(H,19,22)/t14-,16+/m1/s1