3-bromanyl-5-methyl-2-(3-phenoxypropylamino)benzoic acid

Systemtic Name: 3-bromanyl-5-methyl-2-(3-phenoxypropylamino)benzoic acid Openeye Name: 3-bromo-5-methyl-2-(3-phenoxypropylamino)benzoic acid CAS Name: 3-bromo-5-methyl-2-(3-phenoxypropylamino)benzoic acid IUPAC Name: 3-bromo-5-methyl-2-(3-phenoxypropylamino)benzoic acid Traditional Name: 3-bromo-5-methyl-2-(3-phenoxypropylamino)benzoic acid Formula: C17H18BrNO3 MolecularWeight: 364.23372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)NCCCOC2=CC=CC=C2)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)NCCCOC2=CC=CC=C2)Br

InChI

InChI=1S/C17H18BrNO3/c1-12-10-14(17(20)21)16(15(18)11-12)19-8-5-9-22-13-6-3-2-4-7-13/h2-4,6-7,10-11,19H,5,8-9H2,1H3,(H,20,21)