1-butyl-N-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-1,2,3,4-tetrazol-5-amine

Systemtic Name: 1-butyl-N-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-1,2,3,4-tetrazol-5-amine Openeye Name: N-[(4-benzyloxy-3-ethoxy-phenyl)methyl]-1-butyl-tetrazol-5-amine CAS Name: 1-butyl-N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-5-tetrazolamine IUPAC Name: 1-butyl-N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]tetrazol-5-amine Traditional Name: (4-benzoxy-3-ethoxy-benzyl)-(1-butyltetrazol-5-yl)amine Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)NCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OCC

Isomeric SMILES

CCCCN1C(=NN=N1)NCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OCC

InChI

InChI=1S/C21H27N5O2/c1-3-5-13-26-21(23-24-25-26)22-15-18-11-12-19(20(14-18)27-4-2)28-16-17-9-7-6-8-10-17/h6-12,14H,3-5,13,15-16H2,1-2H3,(H,22,23,25)