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

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-butoxy-3-methoxy-benzoate Openeye Name: (1-phenyltetrazol-5-yl)methyl 4-butoxy-3-methoxy-benzoate CAS Name: 4-butoxy-3-methoxybenzoic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 4-butoxy-3-methoxybenzoate Traditional Name: 4-butoxy-3-methoxy-benzoic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4/c1-3-4-12-27-17-11-10-15(13-18(17)26-2)20(25)28-14-19-21-22-23-24(19)16-8-6-5-7-9-16/h5-11,13H,3-4,12,14H2,1-2H3