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

Systemtic Name: methyl 3-bromanyl-2-[2-(3,4-dimethylphenoxy)ethylamino]-5-methyl-benzoate Openeye Name: methyl 3-bromo-2-[2-(3,4-dimethylphenoxy)ethylamino]-5-methyl-benzoate CAS Name: 3-bromo-2-[2-(3,4-dimethylphenoxy)ethylamino]-5-methylbenzoic acid methyl ester IUPAC Name: methyl 3-bromo-2-[2-(3,4-dimethylphenoxy)ethylamino]-5-methylbenzoate Traditional Name: 3-bromo-2-[2-(3,4-dimethylphenoxy)ethylamino]-5-methyl-benzoic acid methyl ester Formula: C19H22BrNO3 MolecularWeight: 392.28688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCNC2=C(C=C(C=C2C(=O)OC)C)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCNC2=C(C=C(C=C2C(=O)OC)C)Br)C

InChI

InChI=1S/C19H22BrNO3/c1-12-9-16(19(22)23-4)18(17(20)10-12)21-7-8-24-15-6-5-13(2)14(3)11-15/h5-6,9-11,21H,7-8H2,1-4H3