3-chloranyl-2-(4-phenoxybutylamino)benzoic acid

Systemtic Name: 3-chloranyl-2-(4-phenoxybutylamino)benzoic acid Openeye Name: 3-chloro-2-(4-phenoxybutylamino)benzoic acid CAS Name: 3-chloro-2-(4-phenoxybutylamino)benzoic acid IUPAC Name: 3-chloro-2-(4-phenoxybutylamino)benzoic acid Traditional Name: 3-chloro-2-(4-phenoxybutylamino)benzoic acid Formula: C17H18ClNO3 MolecularWeight: 319.78272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCNC2=C(C=CC=C2Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCCNC2=C(C=CC=C2Cl)C(=O)O

InChI

InChI=1S/C17H18ClNO3/c18-15-10-6-9-14(17(20)21)16(15)19-11-4-5-12-22-13-7-2-1-3-8-13/h1-3,6-10,19H,4-5,11-12H2,(H,20,21)