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

Systemtic Name: ethyl 5-[4-[4-[[2,5-dimethyl-4-(phenylmethyl)piperazin-1-yl]-(3-hydroxyphenyl)methyl]phenyl]-1,2,3-triazol-1-yl]pentanoate Openeye Name: ethyl 5-[4-[4-[(4-benzyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]triazol-1-yl]pentanoate CAS Name: 5-[4-[4-[[2,5-dimethyl-4-(phenylmethyl)-1-piperazinyl]-(3-hydroxyphenyl)methyl]phenyl]-1-triazolyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-[4-[(4-benzyl-2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]triazol-1-yl]pentanoate Traditional Name: 5-[4-[4-[(4-benzyl-2,5-dimethyl-piperazino)-(3-hydroxyphenyl)methyl]phenyl]triazol-1-yl]valeric acid ethyl ester Formula: C35H43N5O3 MolecularWeight: 581.74762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN1C=C(N=N1)C2=CC=C(C=C2)C(C3=CC(=CC=C3)O)N4CC(N(CC4C)CC5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)CCCCN1C=C(N=N1)C2=CC=C(C=C2)C(C3=CC(=CC=C3)O)N4CC(N(CC4C)CC5=CC=CC=C5)C

InChI

InChI=1S/C35H43N5O3/c1-4-43-34(42)15-8-9-20-39-25-33(36-37-39)29-16-18-30(19-17-29)35(31-13-10-14-32(41)21-31)40-23-26(2)38(22-27(40)3)24-28-11-6-5-7-12-28/h5-7,10-14,16-19,21,25-27,35,41H,4,8-9,15,20,22-24H2,1-3H3