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

Systemtic Name: 3-[[(2S)-2-ethylhexanoyl]amino]-4-methyl-benzoate Openeye Name: 3-[[(2S)-2-ethylhexanoyl]amino]-4-methyl-benzoate CAS Name: 3-[[(2S)-2-ethyl-1-oxohexyl]amino]-4-methylbenzoate IUPAC Name: 3-[[(2S)-2-ethylhexanoyl]amino]-4-methylbenzoate Traditional Name: 3-[[(2S)-2-ethylhexanoyl]amino]-4-methyl-benzoate Formula: C16H22NO3- MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-4-6-7-12(5-2)15(18)17-14-10-13(16(19)20)9-8-11(14)3/h8-10,12H,4-7H2,1-3H3,(H,17,18)(H,19,20)/p-1/t12-/m0/s1