methyl 3-(butylamino)-4-chloranyl-benzoate

Systemtic Name: methyl 3-(butylamino)-4-chloranyl-benzoate Openeye Name: methyl 3-(butylamino)-4-chloro-benzoate CAS Name: 3-(butylamino)-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-(butylamino)-4-chlorobenzoate Traditional Name: 3-(butylamino)-4-chloro-benzoic acid methyl ester Formula: C12H16ClNO2 MolecularWeight: 241.71394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=CC(=C1)C(=O)OC)Cl

Isomeric SMILES

CCCCNC1=C(C=CC(=C1)C(=O)OC)Cl

InChI

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