4-[[[(2S)-2-methylpentanoyl]amino]methyl]benzoate

Systemtic Name: 4-[[[(2S)-2-methylpentanoyl]amino]methyl]benzoate Openeye Name: 4-[[[(2S)-2-methylpentanoyl]amino]methyl]benzoate CAS Name: 4-[[[(2S)-2-methyl-1-oxopentyl]amino]methyl]benzoate IUPAC Name: 4-[[[(2S)-2-methylpentanoyl]amino]methyl]benzoate Traditional Name: 4-[[[(2S)-2-methylpentanoyl]amino]methyl]benzoate Formula: C14H18NO3- MolecularWeight: 248.29762

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NCC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCC[C@H](C)C(=O)NCC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C14H19NO3/c1-3-4-10(2)13(16)15-9-11-5-7-12(8-6-11)14(17)18/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)(H,17,18)/p-1/t10-/m0/s1