2-[5-[4-[(3-hydroxyphenyl)-[4-(phenylmethyl)piperazin-1-yl]methyl]phenyl]-1,2,3,4-tetrazol-1-yl]ethanoate

Systemtic Name: 2-[5-[4-[(3-hydroxyphenyl)-[4-(phenylmethyl)piperazin-1-yl]methyl]phenyl]-1,2,3,4-tetrazol-1-yl]ethanoate Openeye Name: 2-[5-[4-[(4-benzylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]tetrazol-1-yl]acetate CAS Name: 2-[5-[4-[(3-hydroxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]-1-tetrazolyl]acetate IUPAC Name: 2-[5-[4-[(4-benzylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]tetrazol-1-yl]acetate Traditional Name: 2-[5-[4-[(4-benzylpiperazino)-(3-hydroxyphenyl)methyl]phenyl]tetrazol-1-yl]acetate Formula: C27H27N6O3- MolecularWeight: 483.54168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(C3=CC=C(C=C3)C4=NN=NN4CC(=O)[O-])C5=CC(=CC=C5)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(C3=CC=C(C=C3)C4=NN=NN4CC(=O)[O-])C5=CC(=CC=C5)O

InChI

InChI=1S/C27H28N6O3/c34-24-8-4-7-23(17-24)26(32-15-13-31(14-16-32)18-20-5-2-1-3-6-20)21-9-11-22(12-10-21)27-28-29-30-33(27)19-25(35)36/h1-12,17,26,34H,13-16,18-19H2,(H,35,36)/p-1