methyl 3-bromanyl-2-[4-(4-methoxyphenoxy)butylamino]-5-methyl-benzoate

Systemtic Name: methyl 3-bromanyl-2-[4-(4-methoxyphenoxy)butylamino]-5-methyl-benzoate Openeye Name: methyl 3-bromo-2-[4-(4-methoxyphenoxy)butylamino]-5-methyl-benzoate CAS Name: 3-bromo-2-[4-(4-methoxyphenoxy)butylamino]-5-methylbenzoic acid methyl ester IUPAC Name: methyl 3-bromo-2-[4-(4-methoxyphenoxy)butylamino]-5-methylbenzoate Traditional Name: 3-bromo-2-[4-(4-methoxyphenoxy)butylamino]-5-methyl-benzoic acid methyl ester Formula: C20H24BrNO4 MolecularWeight: 422.31286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrNO4/c1-14-12-17(20(23)25-3)19(18(21)13-14)22-10-4-5-11-26-16-8-6-15(24-2)7-9-16/h6-9,12-13,22H,4-5,10-11H2,1-3H3