(E)-2-[2-[2-carboxy-4-(2-methylpropyl)phenyl]ethyl]-3-ethyl-but-2-enedioic acid

Systemtic Name: (E)-2-[2-[2-carboxy-4-(2-methylpropyl)phenyl]ethyl]-3-ethyl-but-2-enedioic acid Openeye Name: (E)-2-[2-(2-carboxy-4-isobutyl-phenyl)ethyl]-3-ethyl-but-2-enedioic acid CAS Name: (E)-2-[2-[2-carboxy-4-(2-methylpropyl)phenyl]ethyl]-3-ethyl-2-butenedioic acid IUPAC Name: (E)-2-[2-[2-carboxy-4-(2-methylpropyl)phenyl]ethyl]-3-ethylbut-2-enedioic acid Traditional Name: (E)-2-[2-(2-carboxy-4-isobutyl-phenyl)ethyl]-3-ethyl-but-2-enedioic acid Formula: C19H24O6 MolecularWeight: 348.39026

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(CCC1=C(C=C(C=C1)CC(C)C)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC/C(=C(/CCC1=C(C=C(C=C1)CC(C)C)C(=O)O)\C(=O)O)/C(=O)O

InChI

InChI=1S/C19H24O6/c1-4-14(17(20)21)15(18(22)23)8-7-13-6-5-12(9-11(2)3)10-16(13)19(24)25/h5-6,10-11H,4,7-9H2,1-3H3,(H,20,21)(H,22,23)(H,24,25)/b15-14+