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

Systemtic Name: methyl 3-bromanyl-2-[4-(2,3-dimethylphenoxy)butylamino]-5-methyl-benzoate Openeye Name: methyl 3-bromo-2-[4-(2,3-dimethylphenoxy)butylamino]-5-methyl-benzoate CAS Name: 3-bromo-2-[4-(2,3-dimethylphenoxy)butylamino]-5-methylbenzoic acid methyl ester IUPAC Name: methyl 3-bromo-2-[4-(2,3-dimethylphenoxy)butylamino]-5-methylbenzoate Traditional Name: 3-bromo-2-[4-(2,3-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(=CC=C1)OCCCCNC2=C(C=C(C=C2C(=O)OC)C)Br)C

Isomeric SMILES

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

InChI

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