1-[3-tert-butyl-3-ethenoxy-8-phenoxy-4-(phenylmethyl)oct-1-en-4-yl]-1,2,4-triazole

Systemtic Name: 1-[3-tert-butyl-3-ethenoxy-8-phenoxy-4-(phenylmethyl)oct-1-en-4-yl]-1,2,4-triazole Openeye Name: 1-[1-benzyl-1-(1-tert-butyl-1-vinyloxy-allyl)-5-phenoxy-pentyl]-1,2,4-triazole CAS Name: 1-[3-tert-butyl-3-ethenoxy-8-phenoxy-4-(phenylmethyl)oct-1-en-4-yl]-1,2,4-triazole IUPAC Name: 1-(4-benzyl-3-tert-butyl-3-ethenoxy-8-phenoxyoct-1-en-4-yl)-1,2,4-triazole Traditional Name: 1-[1-benzyl-2-tert-butyl-1-(4-phenoxybutyl)-2-vinyloxy-but-3-enyl]-1,2,4-triazole Formula: C29H37N3O2 MolecularWeight: 459.62298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C=C)(C(CCCCOC1=CC=CC=C1)(CC2=CC=CC=C2)N3C=NC=N3)OC=C

Isomeric SMILES

CC(C)(C)C(C=C)(C(CCCCOC1=CC=CC=C1)(CC2=CC=CC=C2)N3C=NC=N3)OC=C

InChI

InChI=1S/C29H37N3O2/c1-6-29(34-7-2,27(3,4)5)28(32-24-30-23-31-32,22-25-16-10-8-11-17-25)20-14-15-21-33-26-18-12-9-13-19-26/h6-13,16-19,23-24H,1-2,14-15,20-22H2,3-5H3