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

Systemtic Name: (E)-4-[[(2S)-butan-2-yl]-(pyridin-4-ylmethyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[(1S)-1-methylpropyl]-(4-pyridylmethyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[(2S)-butan-2-yl]-(pyridin-4-ylmethyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[(2S)-butan-2-yl]-(pyridin-4-ylmethyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[[(1S)-1-methylpropyl]-(4-pyridylmethyl)amino]but-2-enoic acid Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=NC=C1)C(=O)C=CC(=O)O

Isomeric SMILES

CC[C@H](C)N(CC1=CC=NC=C1)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H18N2O3/c1-3-11(2)16(13(17)4-5-14(18)19)10-12-6-8-15-9-7-12/h4-9,11H,3,10H2,1-2H3,(H,18,19)/b5-4+/t11-/m0/s1