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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=CC=C1Cl)C(=O)OC

Isomeric SMILES

CCCCNC1=C(C=CC=C1Cl)C(=O)OC

InChI

InChI=1S/C12H16ClNO2/c1-3-4-8-14-11-9(12(15)16-2)6-5-7-10(11)13/h5-7,14H,3-4,8H2,1-2H3