3-chloranyl-4-[4-[methyl-[(4-phenoxyphenyl)methyl]amino]phenoxy]benzoic acid

Systemtic Name: 3-chloranyl-4-[4-[methyl-[(4-phenoxyphenyl)methyl]amino]phenoxy]benzoic acid Openeye Name: 3-chloro-4-[4-[methyl-[(4-phenoxyphenyl)methyl]amino]phenoxy]benzoic acid CAS Name: 3-chloro-4-[4-[methyl-[(4-phenoxyphenyl)methyl]amino]phenoxy]benzoic acid IUPAC Name: 3-chloro-4-[4-[methyl-[(4-phenoxyphenyl)methyl]amino]phenoxy]benzoic acid Traditional Name: 3-chloro-4-[4-[methyl-(4-phenoxybenzyl)amino]phenoxy]benzoic acid Formula: C27H22ClNO4 MolecularWeight: 459.92088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)C(=O)O)Cl

Isomeric SMILES

CN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C27H22ClNO4/c1-29(18-19-7-12-23(13-8-19)32-22-5-3-2-4-6-22)21-10-14-24(15-11-21)33-26-16-9-20(27(30)31)17-25(26)28/h2-17H,18H2,1H3,(H,30,31)