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

Systemtic Name: ethyl 4-[3-[3-[[2,5-dimethyl-4-(phenylmethyl)piperazin-1-yl]-(3-hydroxyphenyl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]butanoate Openeye Name: ethyl 4-[3-[3-[(4-benzyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]butanoate CAS Name: 4-[3-[3-[[2,5-dimethyl-4-(phenylmethyl)-1-piperazinyl]-(3-hydroxyphenyl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[3-[(4-benzyl-2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]butanoate Traditional Name: 4-[3-[3-[(4-benzyl-2,5-dimethyl-piperazino)-(3-hydroxyphenyl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]butyric acid ethyl ester Formula: C34H40N4O4 MolecularWeight: 568.7058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=NC(=NO1)C2=CC(=CC=C2)C(C3=CC(=CC=C3)O)N4CC(N(CC4C)CC5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)CCCC1=NC(=NO1)C2=CC(=CC=C2)C(C3=CC(=CC=C3)O)N4CC(N(CC4C)CC5=CC=CC=C5)C

InChI

InChI=1S/C34H40N4O4/c1-4-41-32(40)18-10-17-31-35-34(36-42-31)29-15-8-13-27(19-29)33(28-14-9-16-30(39)20-28)38-22-24(2)37(21-25(38)3)23-26-11-6-5-7-12-26/h5-9,11-16,19-20,24-25,33,39H,4,10,17-18,21-23H2,1-3H3