tert-butyl 2-chloranyl-5-(4-methylpiperazin-1-yl)benzoate

Systemtic Name: tert-butyl 2-chloranyl-5-(4-methylpiperazin-1-yl)benzoate Openeye Name: tert-butyl 2-chloro-5-(4-methylpiperazin-1-yl)benzoate CAS Name: 2-chloro-5-(4-methyl-1-piperazinyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-chloro-5-(4-methylpiperazin-1-yl)benzoate Traditional Name: 2-chloro-5-(4-methylpiperazino)benzoic acid tert-butyl ester Formula: C16H23ClN2O2 MolecularWeight: 310.81902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=CC(=C1)N2CCN(CC2)C)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CC(=C1)N2CCN(CC2)C)Cl

InChI

InChI=1S/C16H23ClN2O2/c1-16(2,3)21-15(20)13-11-12(5-6-14(13)17)19-9-7-18(4)8-10-19/h5-6,11H,7-10H2,1-4H3