(E)-4-[2-methylpropyl(pyridin-2-ylmethyl)amino]-4-oxidanylidene-but-2-enoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CC=N1)C(=O)C=CC(=O)O

Isomeric SMILES

CC(C)CN(CC1=CC=CC=N1)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H18N2O3/c1-11(2)9-16(13(17)6-7-14(18)19)10-12-5-3-4-8-15-12/h3-8,11H,9-10H2,1-2H3,(H,18,19)/b7-6+