methyl 2-[2-(4-bromanylphenoxy)ethylamino]-3-methyl-benzoate

Systemtic Name: methyl 2-[2-(4-bromanylphenoxy)ethylamino]-3-methyl-benzoate Openeye Name: methyl 2-[2-(4-bromophenoxy)ethylamino]-3-methyl-benzoate CAS Name: 2-[2-(4-bromophenoxy)ethylamino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[2-(4-bromophenoxy)ethylamino]-3-methylbenzoate Traditional Name: 2-[2-(4-bromophenoxy)ethylamino]-3-methyl-benzoic acid methyl ester Formula: C17H18BrNO3 MolecularWeight: 364.23372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NCCOC2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1NCCOC2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C17H18BrNO3/c1-12-4-3-5-15(17(20)21-2)16(12)19-10-11-22-14-8-6-13(18)7-9-14/h3-9,19H,10-11H2,1-2H3