(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: (1-phenyltetrazol-5-yl)methyl (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-ethoxy-4-propoxyphenyl)-2-propenoic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl (E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-ethoxy-4-propoxy-phenyl)acrylic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)OCC2=NN=NN2C3=CC=CC=C3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC2=NN=NN2C3=CC=CC=C3)OCC

InChI

InChI=1S/C22H24N4O4/c1-3-14-29-19-12-10-17(15-20(19)28-4-2)11-13-22(27)30-16-21-23-24-25-26(21)18-8-6-5-7-9-18/h5-13,15H,3-4,14,16H2,1-2H3/b13-11+