(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-butoxy-3-ethoxy-benzoate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-butoxy-3-ethoxy-benzoate Openeye Name: (1-phenyltetrazol-5-yl)methyl 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC2=NN=NN2C3=CC=CC=C3)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC2=NN=NN2C3=CC=CC=C3)OCC

InChI

InChI=1S/C21H24N4O4/c1-3-5-13-28-18-12-11-16(14-19(18)27-4-2)21(26)29-15-20-22-23-24-25(20)17-9-7-6-8-10-17/h6-12,14H,3-5,13,15H2,1-2H3