methyl 3-bromanyl-2-[4-(2,5-dimethylphenoxy)butylamino]-5-methyl-benzoate

Systemtic Name: methyl 3-bromanyl-2-[4-(2,5-dimethylphenoxy)butylamino]-5-methyl-benzoate Openeye Name: methyl 3-bromo-2-[4-(2,5-dimethylphenoxy)butylamino]-5-methyl-benzoate CAS Name: 3-bromo-2-[4-(2,5-dimethylphenoxy)butylamino]-5-methylbenzoic acid methyl ester IUPAC Name: methyl 3-bromo-2-[4-(2,5-dimethylphenoxy)butylamino]-5-methylbenzoate Traditional Name: 3-bromo-2-[4-(2,5-dimethylphenoxy)butylamino]-5-methyl-benzoic acid methyl ester Formula: C21H26BrNO3 MolecularWeight: 420.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCCNC2=C(C=C(C=C2C(=O)OC)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCCNC2=C(C=C(C=C2C(=O)OC)C)Br

InChI

InChI=1S/C21H26BrNO3/c1-14-7-8-16(3)19(13-14)26-10-6-5-9-23-20-17(21(24)25-4)11-15(2)12-18(20)22/h7-8,11-13,23H,5-6,9-10H2,1-4H3