tert-butyl N-[2-[3-[4-(2-azanylethyl)-2-bromanyl-phenoxy]-5-bromanyl-4-methoxy-phenyl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[3-[4-(2-azanylethyl)-2-bromanyl-phenoxy]-5-bromanyl-4-methoxy-phenyl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[3-[4-(2-aminoethyl)-2-bromo-phenoxy]-5-bromo-4-methoxy-phenyl]ethyl]carbamate CAS Name: N-[2-[3-[4-(2-aminoethyl)-2-bromophenoxy]-5-bromo-4-methoxyphenyl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[3-[4-(2-aminoethyl)-2-bromophenoxy]-5-bromo-4-methoxyphenyl]ethyl]carbamate Traditional Name: N-[2-[3-[4-(2-aminoethyl)-2-bromo-phenoxy]-5-bromo-4-methoxy-phenyl]ethyl]carbamic acid tert-butyl ester Formula: C22H28Br2N2O4 MolecularWeight: 544.27672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC1=CC(=C(C(=C1)Br)OC)OC2=C(C=C(C=C2)CCN)Br

Isomeric SMILES

CC(C)(C)OC(=O)NCCC1=CC(=C(C(=C1)Br)OC)OC2=C(C=C(C=C2)CCN)Br

InChI

InChI=1S/C22H28Br2N2O4/c1-22(2,3)30-21(27)26-10-8-15-12-17(24)20(28-4)19(13-15)29-18-6-5-14(7-9-25)11-16(18)23/h5-6,11-13H,7-10,25H2,1-4H3,(H,26,27)