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

Systemtic Name: 5-[5-[4-[[2,5-dimethyl-4-(phenylmethyl)piperazin-1-yl]-(3-hydroxyphenyl)methyl]phenyl]-1,2,4-triazol-1-yl]pentanoic acid Openeye Name: 5-[5-[4-[(4-benzyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]-1,2,4-triazol-1-yl]pentanoic acid CAS Name: 5-[5-[4-[[2,5-dimethyl-4-(phenylmethyl)-1-piperazinyl]-(3-hydroxyphenyl)methyl]phenyl]-1,2,4-triazol-1-yl]pentanoic acid IUPAC Name: 5-[5-[4-[(4-benzyl-2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]-1,2,4-triazol-1-yl]pentanoic acid Traditional Name: 5-[5-[4-[(4-benzyl-2,5-dimethyl-piperazino)-(3-hydroxyphenyl)methyl]phenyl]-1,2,4-triazol-1-yl]valeric acid Formula: C33H39N5O3 MolecularWeight: 553.69446

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(C2=CC=C(C=C2)C3=NC=NN3CCCCC(=O)O)C4=CC(=CC=C4)O)C)CC5=CC=CC=C5

Isomeric SMILES

CC1CN(C(CN1C(C2=CC=C(C=C2)C3=NC=NN3CCCCC(=O)O)C4=CC(=CC=C4)O)C)CC5=CC=CC=C5

InChI

InChI=1S/C33H39N5O3/c1-24-21-37(25(2)20-36(24)22-26-9-4-3-5-10-26)32(29-11-8-12-30(39)19-29)27-14-16-28(17-15-27)33-34-23-35-38(33)18-7-6-13-31(40)41/h3-5,8-12,14-17,19,23-25,32,39H,6-7,13,18,20-22H2,1-2H3,(H,40,41)