4-(quinolin-2-ylmethoxy)-3-(2H-1,2,3,4-tetrazol-5-ylmethyl)benzoic acid

Systemtic Name: 4-(quinolin-2-ylmethoxy)-3-(2H-1,2,3,4-tetrazol-5-ylmethyl)benzoic acid Openeye Name: 4-(2-quinolylmethoxy)-3-(2H-tetrazol-5-ylmethyl)benzoic acid CAS Name: 4-(2-quinolinylmethoxy)-3-(2H-tetrazol-5-ylmethyl)benzoic acid IUPAC Name: 4-(quinolin-2-ylmethoxy)-3-(2H-tetrazol-5-ylmethyl)benzoic acid Traditional Name: 4-(2-quinolylmethoxy)-3-(2H-tetrazol-5-ylmethyl)benzoic acid Formula: C19H15N5O3 MolecularWeight: 361.3541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=C(C=C(C=C3)C(=O)O)CC4=NNN=N4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=C(C=C(C=C3)C(=O)O)CC4=NNN=N4

InChI

InChI=1S/C19H15N5O3/c25-19(26)13-6-8-17(14(9-13)10-18-21-23-24-22-18)27-11-15-7-5-12-3-1-2-4-16(12)20-15/h1-9H,10-11H2,(H,25,26)(H,21,22,23,24)