methyl 3-chloranyl-2-(2-methylpropylamino)benzoate

Systemtic Name: methyl 3-chloranyl-2-(2-methylpropylamino)benzoate Openeye Name: methyl 3-chloro-2-(isobutylamino)benzoate CAS Name: 3-chloro-2-(2-methylpropylamino)benzoic acid methyl ester IUPAC Name: methyl 3-chloro-2-(2-methylpropylamino)benzoate Traditional Name: 3-chloro-2-(isobutylamino)benzoic acid methyl ester Formula: C12H16ClNO2 MolecularWeight: 241.71394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(C=CC=C1Cl)C(=O)OC

Isomeric SMILES

CC(C)CNC1=C(C=CC=C1Cl)C(=O)OC

InChI

InChI=1S/C12H16ClNO2/c1-8(2)7-14-11-9(12(15)16-3)5-4-6-10(11)13/h4-6,8,14H,7H2,1-3H3