4-[[5-[4-[[2,5-dimethyl-4-(phenylmethyl)piperazin-1-yl]-(3-hydroxyphenyl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzoic acid

Systemtic Name: 4-[[5-[4-[[2,5-dimethyl-4-(phenylmethyl)piperazin-1-yl]-(3-hydroxyphenyl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzoic acid Openeye Name: 4-[[5-[4-[(4-benzyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzoic acid CAS Name: 4-[[5-[4-[[2,5-dimethyl-4-(phenylmethyl)-1-piperazinyl]-(3-hydroxyphenyl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzoic acid IUPAC Name: 4-[[5-[4-[(4-benzyl-2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzoic acid Traditional Name: 4-[[5-[4-[(4-benzyl-2,5-dimethyl-piperazino)-(3-hydroxyphenyl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzoic acid Formula: C36H36N4O4 MolecularWeight: 588.69544

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(C2=CC=C(C=C2)C3=NN=C(O3)CC4=CC=C(C=C4)C(=O)O)C5=CC(=CC=C5)O)C)CC6=CC=CC=C6

Isomeric SMILES

CC1CN(C(CN1C(C2=CC=C(C=C2)C3=NN=C(O3)CC4=CC=C(C=C4)C(=O)O)C5=CC(=CC=C5)O)C)CC6=CC=CC=C6

InChI

InChI=1S/C36H36N4O4/c1-24-22-40(25(2)21-39(24)23-27-7-4-3-5-8-27)34(31-9-6-10-32(41)20-31)28-15-17-29(18-16-28)35-38-37-33(44-35)19-26-11-13-30(14-12-26)36(42)43/h3-18,20,24-25,34,41H,19,21-23H2,1-2H3,(H,42,43)