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

Systemtic Name: 3-bromanyl-5-methyl-2-(2-phenoxyethylamino)benzoic acid Openeye Name: 3-bromo-5-methyl-2-(2-phenoxyethylamino)benzoic acid CAS Name: 3-bromo-5-methyl-2-(2-phenoxyethylamino)benzoic acid IUPAC Name: 3-bromo-5-methyl-2-(2-phenoxyethylamino)benzoic acid Traditional Name: 3-bromo-5-methyl-2-(2-phenoxyethylamino)benzoic acid Formula: C16H16BrNO3 MolecularWeight: 350.20714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)NCCOC2=CC=CC=C2)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)NCCOC2=CC=CC=C2)Br

InChI

InChI=1S/C16H16BrNO3/c1-11-9-13(16(19)20)15(14(17)10-11)18-7-8-21-12-5-3-2-4-6-12/h2-6,9-10,18H,7-8H2,1H3,(H,19,20)