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

Systemtic Name: (E)-3-[4-[(2,4-dimethyl-3-octadecanoyl-pyrrol-1-yl)methyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(2,4-dimethyl-3-octadecanoyl-pyrrol-1-yl)methyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[2,4-dimethyl-3-(1-oxooctadecyl)-1-pyrrolyl]methyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[(2,4-dimethyl-3-octadecanoylpyrrol-1-yl)methyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(2,4-dimethyl-3-stearoyl-pyrrol-1-yl)methyl]phenyl]acrylic acid Formula: C34H51NO3 MolecularWeight: 521.77364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H51NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(36)34-28(2)26-35(29(34)3)27-31-22-20-30(21-23-31)24-25-33(37)38/h20-26H,4-19,27H2,1-3H3,(H,37,38)/b25-24+