methyl 3-bromanyl-2-[3-(2,6-dimethylphenoxy)propylamino]-5-methyl-benzoate

Systemtic Name: methyl 3-bromanyl-2-[3-(2,6-dimethylphenoxy)propylamino]-5-methyl-benzoate Openeye Name: methyl 3-bromo-2-[3-(2,6-dimethylphenoxy)propylamino]-5-methyl-benzoate CAS Name: 3-bromo-2-[3-(2,6-dimethylphenoxy)propylamino]-5-methylbenzoic acid methyl ester IUPAC Name: methyl 3-bromo-2-[3-(2,6-dimethylphenoxy)propylamino]-5-methylbenzoate Traditional Name: 3-bromo-2-[3-(2,6-dimethylphenoxy)propylamino]-5-methyl-benzoic acid methyl ester Formula: C20H24BrNO3 MolecularWeight: 406.31346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrNO3/c1-13-11-16(20(23)24-4)18(17(21)12-13)22-9-6-10-25-19-14(2)7-5-8-15(19)3/h5,7-8,11-12,22H,6,9-10H2,1-4H3