(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 3-(4-cyanophenyl)propanoate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 3-(4-cyanophenyl)propanoate Openeye Name: (1-phenyltetrazol-5-yl)methyl 3-(4-cyanophenyl)propanoate CAS Name: 3-(4-cyanophenyl)propanoic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 3-(4-cyanophenyl)propanoate Traditional Name: 3-(4-cyanophenyl)propionic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C18H15N5O2 MolecularWeight: 333.344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)COC(=O)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)COC(=O)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H15N5O2/c19-12-15-8-6-14(7-9-15)10-11-18(24)25-13-17-20-21-22-23(17)16-4-2-1-3-5-16/h1-9H,10-11,13H2