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

Systemtic Name: 3-chloranyl-4-[4-[(phenylmethyl)amino]phenoxy]benzoic acid Openeye Name: 4-[4-(benzylamino)phenoxy]-3-chloro-benzoic acid CAS Name: 3-chloro-4-[4-[(phenylmethyl)amino]phenoxy]benzoic acid IUPAC Name: 4-[4-(benzylamino)phenoxy]-3-chlorobenzoic acid Traditional Name: 4-[4-(benzylamino)phenoxy]-3-chloro-benzoic acid Formula: C20H16ClNO3 MolecularWeight: 353.79894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC=C(C=C2)OC3=C(C=C(C=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC=C(C=C2)OC3=C(C=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C20H16ClNO3/c21-18-12-15(20(23)24)6-11-19(18)25-17-9-7-16(8-10-17)22-13-14-4-2-1-3-5-14/h1-12,22H,13H2,(H,23,24)