ethyl 2-[4-(4-dodecoxyphenyl)-1-methyl-5-oxidanyl-3-oxidanylidene-2H-pyrrol-2-yl]ethanoate

Systemtic Name: ethyl 2-[4-(4-dodecoxyphenyl)-1-methyl-5-oxidanyl-3-oxidanylidene-2H-pyrrol-2-yl]ethanoate Openeye Name: ethyl 2-[4-(4-dodecoxyphenyl)-5-hydroxy-1-methyl-3-oxo-2H-pyrrol-2-yl]acetate CAS Name: 2-[4-(4-dodecoxyphenyl)-5-hydroxy-1-methyl-3-oxo-2H-pyrrol-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-dodecoxyphenyl)-5-hydroxy-1-methyl-3-oxo-2H-pyrrol-2-yl]acetate Traditional Name: 2-[5-hydroxy-3-keto-4-(4-lauryloxyphenyl)-1-methyl-2-pyrrolin-2-yl]acetic acid ethyl ester Formula: C27H41NO5 MolecularWeight: 459.61814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=C(N(C(C2=O)CC(=O)OCC)C)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=C(N(C(C2=O)CC(=O)OCC)C)O

InChI

InChI=1S/C27H41NO5/c1-4-6-7-8-9-10-11-12-13-14-19-33-22-17-15-21(16-18-22)25-26(30)23(28(3)27(25)31)20-24(29)32-5-2/h15-18,23,31H,4-14,19-20H2,1-3H3