1-hexadecyl-2-(4-methylphenyl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one

Systemtic Name: 1-hexadecyl-2-(4-methylphenyl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Openeye Name: 1-hexadecyl-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2-(p-tolyl)-2H-pyrrol-5-one CAS Name: 1-hexadecyl-4-hydroxy-2-(4-methylphenyl)-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-5-one IUPAC Name: 1-hexadecyl-4-hydroxy-2-(4-methylphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Traditional Name: 1-cetyl-3-hydroxy-4-[(E)-3-phenylacryloyl]-5-(p-tolyl)-3-pyrrolin-2-one Formula: C36H49NO3 MolecularWeight: 543.77916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C(C(=C(C1=O)O)C(=O)C=CC2=CC=CC=C2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C(C(=C(C1=O)O)C(=O)/C=C/C2=CC=CC=C2)C3=CC=C(C=C3)C

InChI

InChI=1S/C36H49NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-28-37-34(31-25-22-29(2)23-26-31)33(35(39)36(37)40)32(38)27-24-30-20-17-16-18-21-30/h16-18,20-27,34,39H,3-15,19,28H2,1-2H3/b27-24+