O4-[4-(2-azanyl-1-chloranyl-ethyl)-2-(2-methylpropanoyloxy)phenyl] O1-methyl benzene-1,4-dicarboxylate

Systemtic Name: O4-[4-(2-azanyl-1-chloranyl-ethyl)-2-(2-methylpropanoyloxy)phenyl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[4-(2-amino-1-chloro-ethyl)-2-(2-methylpropanoyloxy)phenyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[4-(2-amino-1-chloroethyl)-2-(2-methyl-1-oxopropoxy)phenyl] ester O1-methyl ester IUPAC Name: 4-O-[4-(2-amino-1-chloroethyl)-2-(2-methylpropanoyloxy)phenyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[4-(2-amino-1-chloro-ethyl)-2-isobutyryloxy-phenyl] ester O1-methyl ester Formula: C21H22ClNO6 MolecularWeight: 419.85548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=C(C=CC(=C1)C(CN)Cl)OC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)C(=O)OC1=C(C=CC(=C1)C(CN)Cl)OC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H22ClNO6/c1-12(2)19(24)29-18-10-15(16(22)11-23)8-9-17(18)28-21(26)14-6-4-13(5-7-14)20(25)27-3/h4-10,12,16H,11,23H2,1-3H3