[4-(1,2,3,4-tetrazol-1-yl)phenyl] 2-butoxybenzoate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 2-butoxybenzoate Openeye Name: [4-(tetrazol-1-yl)phenyl] 2-butoxybenzoate CAS Name: 2-butoxybenzoic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 2-butoxybenzoate Traditional Name: 2-butoxybenzoic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C18H18N4O3/c1-2-3-12-24-17-7-5-4-6-16(17)18(23)25-15-10-8-14(9-11-15)22-13-19-20-21-22/h4-11,13H,2-3,12H2,1H3