2-[4-(2-methylpropyl)phenyl]propanoic acid; (E)-octadec-2-enamide

Systemtic Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid; (E)-octadec-2-enamide Openeye Name: 2-(4-isobutylphenyl)propanoic acid; (E)-octadec-2-enamide CAS Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid; (E)-2-octadecenamide IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid; (E)-octadec-2-enamide Traditional Name: 2-(4-isobutylphenyl)propionic acid; (E)-octadec-2-enamide Formula: C31H53NO3 MolecularWeight: 487.75742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=CC(=O)N.CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/C(=O)N.CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

InChI

InChI=1S/C18H35NO.C13H18O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h16-17H,2-15H2,1H3,(H2,19,20);4-7,9-10H,8H2,1-3H3,(H,14,15)/b17-16+;