methyl 4-chloranyl-3-(2-ethylhexanoylamino)benzoate

Systemtic Name: methyl 4-chloranyl-3-(2-ethylhexanoylamino)benzoate Openeye Name: methyl 4-chloro-3-(2-ethylhexanoylamino)benzoate CAS Name: 4-chloro-3-[(2-ethyl-1-oxohexyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-(2-ethylhexanoylamino)benzoate Traditional Name: 4-chloro-3-(2-ethylhexanoylamino)benzoic acid methyl ester Formula: C16H22ClNO3 MolecularWeight: 311.80378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl

Isomeric SMILES

CCCCC(CC)C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl

InChI

InChI=1S/C16H22ClNO3/c1-4-6-7-11(5-2)15(19)18-14-10-12(16(20)21-3)8-9-13(14)17/h8-11H,4-7H2,1-3H3,(H,18,19)