(E)-3-[3-[(3-dodecanoyl-2,4-dimethyl-pyrrol-1-yl)methyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[(3-dodecanoyl-2,4-dimethyl-pyrrol-1-yl)methyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[(3-dodecanoyl-2,4-dimethyl-pyrrol-1-yl)methyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[[2,4-dimethyl-3-(1-oxododecyl)-1-pyrrolyl]methyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[(3-dodecanoyl-2,4-dimethylpyrrol-1-yl)methyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[(3-lauroyl-2,4-dimethyl-pyrrol-1-yl)methyl]phenyl]acrylic acid Formula: C28H39NO3 MolecularWeight: 437.61416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C=C1C)CC2=CC=CC(=C2)C=CC(=O)O)C

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C=C1C)CC2=CC=CC(=C2)/C=C/C(=O)O)C

InChI

InChI=1S/C28H39NO3/c1-4-5-6-7-8-9-10-11-12-16-26(30)28-22(2)20-29(23(28)3)21-25-15-13-14-24(19-25)17-18-27(31)32/h13-15,17-20H,4-12,16,21H2,1-3H3,(H,31,32)/b18-17+