methyl 4-[[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(5-phenyltetrazol-2-yl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(5-phenyl-2-tetrazolyl)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(5-phenyltetrazol-2-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(5-phenyltetrazol-2-yl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2N=C(N=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2N=C(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H17N5O3/c1-26-18(25)15-9-7-13(8-10-15)11-19-16(24)12-23-21-17(20-22-23)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,24)