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

Systemtic Name: 3-bromanyl-5-methyl-2-(4-phenoxybutylamino)benzoic acid Openeye Name: 3-bromo-5-methyl-2-(4-phenoxybutylamino)benzoic acid CAS Name: 3-bromo-5-methyl-2-(4-phenoxybutylamino)benzoic acid IUPAC Name: 3-bromo-5-methyl-2-(4-phenoxybutylamino)benzoic acid Traditional Name: 3-bromo-5-methyl-2-(4-phenoxybutylamino)benzoic acid Formula: C18H20BrNO3 MolecularWeight: 378.2603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)NCCCCOC2=CC=CC=C2)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)NCCCCOC2=CC=CC=C2)Br

InChI

InChI=1S/C18H20BrNO3/c1-13-11-15(18(21)22)17(16(19)12-13)20-9-5-6-10-23-14-7-3-2-4-8-14/h2-4,7-8,11-12,20H,5-6,9-10H2,1H3,(H,21,22)