5-bromanyl-2-(4-phenoxybutylamino)benzoic acid

Systemtic Name: 5-bromanyl-2-(4-phenoxybutylamino)benzoic acid Openeye Name: 5-bromo-2-(4-phenoxybutylamino)benzoic acid CAS Name: 5-bromo-2-(4-phenoxybutylamino)benzoic acid IUPAC Name: 5-bromo-2-(4-phenoxybutylamino)benzoic acid Traditional Name: 5-bromo-2-(4-phenoxybutylamino)benzoic acid Formula: C17H18BrNO3 MolecularWeight: 364.23372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCNC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCCNC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C17H18BrNO3/c18-13-8-9-16(15(12-13)17(20)21)19-10-4-5-11-22-14-6-2-1-3-7-14/h1-3,6-9,12,19H,4-5,10-11H2,(H,20,21)