4-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,3,4-tetrazol-1-yl]butanoic acid

Systemtic Name: 4-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,3,4-tetrazol-1-yl]butanoic acid Openeye Name: 4-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)tetrazol-1-yl]butanoic acid CAS Name: 4-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-tetrazolyl]butanoic acid IUPAC Name: 4-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)tetrazol-1-yl]butanoic acid Traditional Name: 4-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)tetrazol-1-yl]butyric acid Formula: C15H19N5O2 MolecularWeight: 301.34366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=NN=NN3CCCC(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=NN=NN3CCCC(=O)O

InChI

InChI=1S/C15H19N5O2/c21-15(22)6-3-8-20-14(16-17-18-20)11-19-9-7-12-4-1-2-5-13(12)10-19/h1-2,4-5H,3,6-11H2,(H,21,22)