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

Systemtic Name: methyl 3-bromanyl-2-[4-(4-tert-butylphenoxy)butylamino]-5-methyl-benzoate Openeye Name: methyl 3-bromo-2-[4-(4-tert-butylphenoxy)butylamino]-5-methyl-benzoate CAS Name: 3-bromo-2-[4-(4-tert-butylphenoxy)butylamino]-5-methylbenzoic acid methyl ester IUPAC Name: methyl 3-bromo-2-[4-(4-tert-butylphenoxy)butylamino]-5-methylbenzoate Traditional Name: 3-bromo-2-[4-(4-tert-butylphenoxy)butylamino]-5-methyl-benzoic acid methyl ester Formula: C23H30BrNO3 MolecularWeight: 448.3932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30BrNO3/c1-16-14-19(22(26)27-5)21(20(24)15-16)25-12-6-7-13-28-18-10-8-17(9-11-18)23(2,3)4/h8-11,14-15,25H,6-7,12-13H2,1-5H3