methyl 3-bromanyl-2-[3-(3,5-dimethylphenoxy)propylamino]-5-methyl-benzoate

Systemtic Name: methyl 3-bromanyl-2-[3-(3,5-dimethylphenoxy)propylamino]-5-methyl-benzoate Openeye Name: methyl 3-bromo-2-[3-(3,5-dimethylphenoxy)propylamino]-5-methyl-benzoate CAS Name: 3-bromo-2-[3-(3,5-dimethylphenoxy)propylamino]-5-methylbenzoic acid methyl ester IUPAC Name: methyl 3-bromo-2-[3-(3,5-dimethylphenoxy)propylamino]-5-methylbenzoate Traditional Name: 3-bromo-2-[3-(3,5-dimethylphenoxy)propylamino]-5-methyl-benzoic acid methyl ester Formula: C20H24BrNO3 MolecularWeight: 406.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCNC2=C(C=C(C=C2C(=O)OC)C)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCNC2=C(C=C(C=C2C(=O)OC)C)Br)C

InChI

InChI=1S/C20H24BrNO3/c1-13-8-14(2)10-16(9-13)25-7-5-6-22-19-17(20(23)24-4)11-15(3)12-18(19)21/h8-12,22H,5-7H2,1-4H3