[8-bromanyl-7-(1,2,3,4-tetrazol-1-ylmethoxy)naphthalen-2-yl]-(2-butyl-1-benzofuran-3-yl)methanol

Systemtic Name: [8-bromanyl-7-(1,2,3,4-tetrazol-1-ylmethoxy)naphthalen-2-yl]-(2-butyl-1-benzofuran-3-yl)methanol Openeye Name: [8-bromo-7-(tetrazol-1-ylmethoxy)-2-naphthyl]-(2-butylbenzofuran-3-yl)methanol CAS Name: [8-bromo-7-(1-tetrazolylmethoxy)-2-naphthalenyl]-(2-butyl-3-benzofuranyl)methanol IUPAC Name: [8-bromo-7-(tetrazol-1-ylmethoxy)naphthalen-2-yl]-(2-butyl-1-benzofuran-3-yl)methanol Traditional Name: [8-bromo-7-(tetrazol-1-ylmethoxy)-2-naphthyl]-(2-butylbenzofuran-3-yl)methanol Formula: C25H23BrN4O3 MolecularWeight: 507.37912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(C3=CC4=C(C=C3)C=CC(=C4Br)OCN5C=NN=N5)O

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(C3=CC4=C(C=C3)C=CC(=C4Br)OCN5C=NN=N5)O

InChI

InChI=1S/C25H23BrN4O3/c1-2-3-7-21-23(18-6-4-5-8-20(18)33-21)25(31)17-10-9-16-11-12-22(24(26)19(16)13-17)32-15-30-14-27-28-29-30/h4-6,8-14,25,31H,2-3,7,15H2,1H3