4-chloranyl-3-[[(2S)-2-ethylhexanoyl]amino]benzoate

Systemtic Name: 4-chloranyl-3-[[(2S)-2-ethylhexanoyl]amino]benzoate Openeye Name: 4-chloro-3-[[(2S)-2-ethylhexanoyl]amino]benzoate CAS Name: 4-chloro-3-[[(2S)-2-ethyl-1-oxohexyl]amino]benzoate IUPAC Name: 4-chloro-3-[[(2S)-2-ethylhexanoyl]amino]benzoate Traditional Name: 4-chloro-3-[[(2S)-2-ethylhexanoyl]amino]benzoate Formula: C15H19ClNO3- MolecularWeight: 296.76926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(C=CC(=C1)C(=O)[O-])Cl

Isomeric SMILES

CCCC[C@H](CC)C(=O)NC1=C(C=CC(=C1)C(=O)[O-])Cl

InChI

InChI=1S/C15H20ClNO3/c1-3-5-6-10(4-2)14(18)17-13-9-11(15(19)20)7-8-12(13)16/h7-10H,3-6H2,1-2H3,(H,17,18)(H,19,20)/p-1/t10-/m0/s1