5-[[4-[(2S)-butan-2-yl]phenyl]amino]pentanoate

Systemtic Name: 5-[[4-[(2S)-butan-2-yl]phenyl]amino]pentanoate Openeye Name: 5-[4-[(1S)-1-methylpropyl]anilino]pentanoate CAS Name: 5-[4-[(2S)-butan-2-yl]anilino]pentanoate IUPAC Name: 5-[4-[(2S)-butan-2-yl]anilino]pentanoate Traditional Name: 5-[4-[(1S)-1-methylpropyl]anilino]valerate Formula: C15H22NO2- MolecularWeight: 248.34068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NCCCCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO2/c1-3-12(2)13-7-9-14(10-8-13)16-11-5-4-6-15(17)18/h7-10,12,16H,3-6,11H2,1-2H3,(H,17,18)/p-1/t12-/m0/s1