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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrNO3/c1-14-7-6-8-16(11-14)25-10-5-4-9-22-19-17(20(23)24-3)12-15(2)13-18(19)21/h6-8,11-13,22H,4-5,9-10H2,1-3H3