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

Systemtic Name: 5-[[4-[(2S)-butan-2-yl]phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[4-[(1S)-1-methylpropyl]anilino]-5-oxo-pentanoate CAS Name: 5-[4-[(2S)-butan-2-yl]anilino]-5-oxopentanoate IUPAC Name: 5-[4-[(2S)-butan-2-yl]anilino]-5-oxopentanoate Traditional Name: 5-keto-5-[4-[(1S)-1-methylpropyl]anilino]valerate Formula: C15H20NO3- MolecularWeight: 262.3242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-3-11(2)12-7-9-13(10-8-12)16-14(17)5-4-6-15(18)19/h7-11H,3-6H2,1-2H3,(H,16,17)(H,18,19)/p-1/t11-/m0/s1