[4-(2-azanyl-1-chloranyl-ethyl)-2-(2-methylpropanoyloxy)phenyl] 4-(2-methylpropanoyloxy)benzoate

Systemtic Name: [4-(2-azanyl-1-chloranyl-ethyl)-2-(2-methylpropanoyloxy)phenyl] 4-(2-methylpropanoyloxy)benzoate Openeye Name: [4-(2-amino-1-chloro-ethyl)-2-(2-methylpropanoyloxy)phenyl] 4-(2-methylpropanoyloxy)benzoate CAS Name: 4-(2-methyl-1-oxopropoxy)benzoic acid [4-(2-amino-1-chloroethyl)-2-(2-methyl-1-oxopropoxy)phenyl] ester IUPAC Name: [4-(2-amino-1-chloroethyl)-2-(2-methylpropanoyloxy)phenyl] 4-(2-methylpropanoyloxy)benzoate Traditional Name: 4-isobutyryloxybenzoic acid [4-(2-amino-1-chloro-ethyl)-2-isobutyryloxy-phenyl] ester Formula: C23H26ClNO6 MolecularWeight: 447.90864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(CN)Cl)OC(=O)C(C)C

Isomeric SMILES

CC(C)C(=O)OC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(CN)Cl)OC(=O)C(C)C

InChI

InChI=1S/C23H26ClNO6/c1-13(2)21(26)29-17-8-5-15(6-9-17)23(28)30-19-10-7-16(18(24)12-25)11-20(19)31-22(27)14(3)4/h5-11,13-14,18H,12,25H2,1-4H3