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

Systemtic Name: methyl 3-bromanyl-5-methyl-2-[4-(2-methylphenoxy)butylamino]benzoate Openeye Name: methyl 3-bromo-5-methyl-2-[4-(2-methylphenoxy)butylamino]benzoate CAS Name: 3-bromo-5-methyl-2-[4-(2-methylphenoxy)butylamino]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-5-methyl-2-[4-(2-methylphenoxy)butylamino]benzoate Traditional Name: 3-bromo-5-methyl-2-[4-(2-methylphenoxy)butylamino]benzoic acid methyl ester Formula: C20H24BrNO3 MolecularWeight: 406.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCCCNC2=C(C=C(C=C2C(=O)OC)C)Br

Isomeric SMILES

CC1=CC=CC=C1OCCCCNC2=C(C=C(C=C2C(=O)OC)C)Br

InChI

InChI=1S/C20H24BrNO3/c1-14-12-16(20(23)24-3)19(17(21)13-14)22-10-6-7-11-25-18-9-5-4-8-15(18)2/h4-5,8-9,12-13,22H,6-7,10-11H2,1-3H3