4-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(1S)-1-[4-[(1S)-1-methylpropyl]phenyl]ethyl]amino]-4-oxo-butanoate CAS Name: 4-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethyl]amino]-4-oxobutanoate IUPAC Name: 4-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethyl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[(1S)-1-[4-[(1S)-1-methylpropyl]phenyl]ethyl]amino]butyrate Formula: C16H22NO3- MolecularWeight: 276.35078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-4-11(2)13-5-7-14(8-6-13)12(3)17-15(18)9-10-16(19)20/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,18)(H,19,20)/p-1/t11-,12-/m0/s1