3-[2-[4-[1-(2-tert-butyl-4-methoxy-phenyl)-2-oxidanyl-propyl]-3-methyl-piperazin-1-yl]phenoxy]propanoic acid

Systemtic Name: 3-[2-[4-[1-(2-tert-butyl-4-methoxy-phenyl)-2-oxidanyl-propyl]-3-methyl-piperazin-1-yl]phenoxy]propanoic acid Openeye Name: 3-[2-[4-[1-(2-tert-butyl-4-methoxy-phenyl)-2-hydroxy-propyl]-3-methyl-piperazin-1-yl]phenoxy]propanoic acid CAS Name: 3-[2-[4-[1-(2-tert-butyl-4-methoxyphenyl)-2-hydroxypropyl]-3-methyl-1-piperazinyl]phenoxy]propanoic acid IUPAC Name: 3-[2-[4-[1-(2-tert-butyl-4-methoxyphenyl)-2-hydroxypropyl]-3-methylpiperazin-1-yl]phenoxy]propanoic acid Traditional Name: 3-[2-[4-[1-(2-tert-butyl-4-methoxy-phenyl)-2-hydroxy-propyl]-3-methyl-piperazino]phenoxy]propionic acid Formula: C28H40N2O5 MolecularWeight: 484.6276

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(C2=C(C=C(C=C2)OC)C(C)(C)C)C(C)O)C3=CC=CC=C3OCCC(=O)O

Isomeric SMILES

CC1CN(CCN1C(C2=C(C=C(C=C2)OC)C(C)(C)C)C(C)O)C3=CC=CC=C3OCCC(=O)O

InChI

InChI=1S/C28H40N2O5/c1-19-18-29(24-9-7-8-10-25(24)35-16-13-26(32)33)14-15-30(19)27(20(2)31)22-12-11-21(34-6)17-23(22)28(3,4)5/h7-12,17,19-20,27,31H,13-16,18H2,1-6H3,(H,32,33)