2-[4-[2-[4-(3-phenylmethoxyphenyl)piperazin-1-yl]ethoxy]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-[4-(3-phenylmethoxyphenyl)piperazin-1-yl]ethoxy]phenyl]ethanoic acid Openeye Name: 2-[4-[2-[4-(3-benzyloxyphenyl)piperazin-1-yl]ethoxy]phenyl]acetic acid CAS Name: 2-[4-[2-[4-(3-phenylmethoxyphenyl)-1-piperazinyl]ethoxy]phenyl]acetic acid IUPAC Name: 2-[4-[2-[4-(3-phenylmethoxyphenyl)piperazin-1-yl]ethoxy]phenyl]acetic acid Traditional Name: 2-[4-[2-[4-(3-benzoxyphenyl)piperazino]ethoxy]phenyl]acetic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=C(C=C2)CC(=O)O)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCOC2=CC=C(C=C2)CC(=O)O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O4/c30-27(31)19-22-9-11-25(12-10-22)32-18-17-28-13-15-29(16-14-28)24-7-4-8-26(20-24)33-21-23-5-2-1-3-6-23/h1-12,20H,13-19,21H2,(H,30,31)