(Z)-2-propan-2-yl-3-(pyridin-3-ylmethyl)but-2-enedioic acid

Systemtic Name: (Z)-2-propan-2-yl-3-(pyridin-3-ylmethyl)but-2-enedioic acid Openeye Name: (Z)-2-isopropyl-3-(3-pyridylmethyl)but-2-enedioic acid CAS Name: (Z)-2-propan-2-yl-3-(3-pyridinylmethyl)-2-butenedioic acid IUPAC Name: (Z)-2-propan-2-yl-3-(pyridin-3-ylmethyl)but-2-enedioic acid Traditional Name: (Z)-2-isopropyl-3-(3-pyridylmethyl)but-2-enedioic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=C(CC1=CN=CC=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)/C(=C(\CC1=CN=CC=C1)/C(=O)O)/C(=O)O

InChI

InChI=1S/C13H15NO4/c1-8(2)11(13(17)18)10(12(15)16)6-9-4-3-5-14-7-9/h3-5,7-8H,6H2,1-2H3,(H,15,16)(H,17,18)/b11-10-