(1-butyl-1,2,3,4-tetrazol-5-yl)methyl quinoline-2-carboxylate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl quinoline-2-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl quinoline-2-carboxylate Traditional Name: quinaldic acid (1-butyltetrazol-5-yl)methyl ester Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C16H17N5O2/c1-2-3-10-21-15(18-19-20-21)11-23-16(22)14-9-8-12-6-4-5-7-13(12)17-14/h4-9H,2-3,10-11H2,1H3