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

Systemtic Name: 4-[4-[bis(phenylmethyl)amino]phenoxy]-3-chloranyl-benzoic acid Openeye Name: 3-chloro-4-[4-(dibenzylamino)phenoxy]benzoic acid CAS Name: 4-[4-[bis(phenylmethyl)amino]phenoxy]-3-chlorobenzoic acid IUPAC Name: 3-chloro-4-[4-(dibenzylamino)phenoxy]benzoic acid Traditional Name: 3-chloro-4-[4-(dibenzylamino)phenoxy]benzoic acid Formula: C27H22ClNO3 MolecularWeight: 443.92148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C27H22ClNO3/c28-25-17-22(27(30)31)11-16-26(25)32-24-14-12-23(13-15-24)29(18-20-7-3-1-4-8-20)19-21-9-5-2-6-10-21/h1-17H,18-19H2,(H,30,31)