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

Systemtic Name: methyl 4-chloranyl-3-(3-methylbutylamino)benzoate Openeye Name: methyl 4-chloro-3-(isopentylamino)benzoate CAS Name: 4-chloro-3-(3-methylbutylamino)benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-(3-methylbutylamino)benzoate Traditional Name: 4-chloro-3-(isoamylamino)benzoic acid methyl ester Formula: C13H18ClNO2 MolecularWeight: 255.74052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C=CC(=C1)C(=O)OC)Cl

Isomeric SMILES

CC(C)CCNC1=C(C=CC(=C1)C(=O)OC)Cl

InChI

InChI=1S/C13H18ClNO2/c1-9(2)6-7-15-12-8-10(13(16)17-3)4-5-11(12)14/h4-5,8-9,15H,6-7H2,1-3H3