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

Systemtic Name: ethyl (E)-3-[3-[(3-dodecanoyl-2,4-dimethyl-pyrrol-1-yl)methyl]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[3-[(3-dodecanoyl-2,4-dimethyl-pyrrol-1-yl)methyl]phenyl]prop-2-enoate CAS Name: (E)-3-[3-[[2,4-dimethyl-3-(1-oxododecyl)-1-pyrrolyl]methyl]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-[(3-dodecanoyl-2,4-dimethylpyrrol-1-yl)methyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-[(3-lauroyl-2,4-dimethyl-pyrrol-1-yl)methyl]phenyl]acrylic acid ethyl ester Formula: C30H43NO3 MolecularWeight: 465.66732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H43NO3/c1-5-7-8-9-10-11-12-13-14-18-28(32)30-24(3)22-31(25(30)4)23-27-17-15-16-26(21-27)19-20-29(33)34-6-2/h15-17,19-22H,5-14,18,23H2,1-4H3/b20-19+