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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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