methyl 5-bromanyl-2-(4-phenoxybutylamino)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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