methyl 3-bromanyl-5-methyl-2-(4-phenoxybutylamino)benzoate

Systemtic Name: methyl 3-bromanyl-5-methyl-2-(4-phenoxybutylamino)benzoate Openeye Name: methyl 3-bromo-5-methyl-2-(4-phenoxybutylamino)benzoate CAS Name: 3-bromo-5-methyl-2-(4-phenoxybutylamino)benzoic acid methyl ester IUPAC Name: methyl 3-bromo-5-methyl-2-(4-phenoxybutylamino)benzoate Traditional Name: 3-bromo-5-methyl-2-(4-phenoxybutylamino)benzoic acid methyl ester Formula: C19H22BrNO3 MolecularWeight: 392.28688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)OC)NCCCCOC2=CC=CC=C2)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)OC)NCCCCOC2=CC=CC=C2)Br

InChI

InChI=1S/C19H22BrNO3/c1-14-12-16(19(22)23-2)18(17(20)13-14)21-10-6-7-11-24-15-8-4-3-5-9-15/h3-5,8-9,12-13,21H,6-7,10-11H2,1-2H3