ethyl 5-(3-dodecanoyl-2,4-dimethyl-pyrrol-1-yl)pentanoate

Systemtic Name: ethyl 5-(3-dodecanoyl-2,4-dimethyl-pyrrol-1-yl)pentanoate Openeye Name: ethyl 5-(3-dodecanoyl-2,4-dimethyl-pyrrol-1-yl)pentanoate CAS Name: 5-[2,4-dimethyl-3-(1-oxododecyl)-1-pyrrolyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-(3-dodecanoyl-2,4-dimethylpyrrol-1-yl)pentanoate Traditional Name: 5-(3-lauroyl-2,4-dimethyl-pyrrol-1-yl)valeric acid ethyl ester Formula: C25H43NO3 MolecularWeight: 405.61382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C=C1C)CCCCC(=O)OCC)C

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C=C1C)CCCCC(=O)OCC)C

InChI

InChI=1S/C25H43NO3/c1-5-7-8-9-10-11-12-13-14-17-23(27)25-21(3)20-26(22(25)4)19-16-15-18-24(28)29-6-2/h20H,5-19H2,1-4H3