(E)-4-[[(2S)-butan-2-yl]-(pyridin-2-ylmethyl)amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[[(2S)-butan-2-yl]-(pyridin-2-ylmethyl)amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[[(1S)-1-methylpropyl]-(2-pyridylmethyl)amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(2S)-butan-2-yl]-(2-pyridinylmethyl)amino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[[(2S)-butan-2-yl]-(pyridin-2-ylmethyl)amino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[(1S)-1-methylpropyl]-(2-pyridylmethyl)amino]but-2-enoate Formula: C14H17N2O3- MolecularWeight: 261.29638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=CC=N1)C(=O)C=CC(=O)[O-]

Isomeric SMILES

CC[C@H](C)N(CC1=CC=CC=N1)C(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C14H18N2O3/c1-3-11(2)16(13(17)7-8-14(18)19)10-12-6-4-5-9-15-12/h4-9,11H,3,10H2,1-2H3,(H,18,19)/p-1/b8-7+/t11-/m0/s1