2-[4-[4-(2-dimethylaminoethyloxy)phenyl]-3-(phenylmethyl)phenoxy]ethanoic acid

Systemtic Name: 2-[4-[4-(2-dimethylaminoethyloxy)phenyl]-3-(phenylmethyl)phenoxy]ethanoic acid Openeye Name: 2-[3-benzyl-4-[4-(2-dimethylaminoethyloxy)phenyl]phenoxy]acetic acid CAS Name: 2-[4-[4-(2-dimethylaminoethyloxy)phenyl]-3-(phenylmethyl)phenoxy]acetic acid IUPAC Name: 2-[3-benzyl-4-[4-(2-dimethylaminoethyloxy)phenyl]phenoxy]acetic acid Traditional Name: 2-[3-benzyl-4-[4-(2-dimethylaminoethyloxy)phenyl]phenoxy]acetic acid Formula: C25H27NO4 MolecularWeight: 405.48618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC=C(C=C1)C2=C(C=C(C=C2)OCC(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CN(C)CCOC1=CC=C(C=C1)C2=C(C=C(C=C2)OCC(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C25H27NO4/c1-26(2)14-15-29-22-10-8-20(9-11-22)24-13-12-23(30-18-25(27)28)17-21(24)16-19-6-4-3-5-7-19/h3-13,17H,14-16,18H2,1-2H3,(H,27,28)