methyl 3-bromanyl-5-methyl-2-(2-phenoxyethylamino)benzoate

Systemtic Name: methyl 3-bromanyl-5-methyl-2-(2-phenoxyethylamino)benzoate Openeye Name: methyl 3-bromo-5-methyl-2-(2-phenoxyethylamino)benzoate CAS Name: 3-bromo-5-methyl-2-(2-phenoxyethylamino)benzoic acid methyl ester IUPAC Name: methyl 3-bromo-5-methyl-2-(2-phenoxyethylamino)benzoate Traditional Name: 3-bromo-5-methyl-2-(2-phenoxyethylamino)benzoic acid methyl ester Formula: C17H18BrNO3 MolecularWeight: 364.23372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)OC)NCCOC2=CC=CC=C2)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)OC)NCCOC2=CC=CC=C2)Br

InChI

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