[5-[1-chloranyl-2-(methylamino)ethyl]-2-(2-methylpropanoyloxy)phenyl] 4-methylbenzoate

Systemtic Name: [5-[1-chloranyl-2-(methylamino)ethyl]-2-(2-methylpropanoyloxy)phenyl] 4-methylbenzoate Openeye Name: [5-[1-chloro-2-(methylamino)ethyl]-2-(2-methylpropanoyloxy)phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-[1-chloro-2-(methylamino)ethyl]-2-(2-methyl-1-oxopropoxy)phenyl] ester IUPAC Name: [5-[1-chloro-2-(methylamino)ethyl]-2-(2-methylpropanoyloxy)phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [5-[1-chloro-2-(methylamino)ethyl]-2-isobutyryloxy-phenyl] ester Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(CNC)Cl)OC(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(CNC)Cl)OC(=O)C(C)C

InChI

InChI=1S/C21H24ClNO4/c1-13(2)20(24)26-18-10-9-16(17(22)12-23-4)11-19(18)27-21(25)15-7-5-14(3)6-8-15/h5-11,13,17,23H,12H2,1-4H3