methyl 5-bromanyl-2-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propylamino]benzoate

Systemtic Name: methyl 5-bromanyl-2-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propylamino]benzoate Openeye Name: methyl 5-bromo-2-[3-(4-chloro-3,5-dimethyl-phenoxy)propylamino]benzoate CAS Name: 5-bromo-2-[3-(4-chloro-3,5-dimethylphenoxy)propylamino]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[3-(4-chloro-3,5-dimethylphenoxy)propylamino]benzoate Traditional Name: 5-bromo-2-[3-(4-chloro-3,5-dimethyl-phenoxy)propylamino]benzoic acid methyl ester Formula: C19H21BrClNO3 MolecularWeight: 426.73194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCCNC2=C(C=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCCNC2=C(C=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C19H21BrClNO3/c1-12-9-15(10-13(2)18(12)21)25-8-4-7-22-17-6-5-14(20)11-16(17)19(23)24-3/h5-6,9-11,22H,4,7-8H2,1-3H3