[4-bromanyl-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-yl] N-phenylcarbamate

Systemtic Name: [4-bromanyl-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-yl] N-phenylcarbamate Openeye Name: [3-bromo-2,2-dimethyl-1-[(4-phenylphenoxy)-(1,2,4-triazol-1-yl)methyl]propyl] N-phenylcarbamate CAS Name: N-phenylcarbamic acid [4-bromo-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-yl] ester IUPAC Name: [4-bromo-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-yl] N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [3-bromo-2,2-dimethyl-1-[(4-phenylphenoxy)-(1,2,4-triazol-1-yl)methyl]propyl] ester Formula: C27H27BrN4O3 MolecularWeight: 535.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CBr)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)OC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC(C)(CBr)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)OC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H27BrN4O3/c1-27(2,17-28)24(35-26(33)31-22-11-7-4-8-12-22)25(32-19-29-18-30-32)34-23-15-13-21(14-16-23)20-9-5-3-6-10-20/h3-16,18-19,24-25H,17H2,1-2H3,(H,31,33)