hexyl 2-[4-(2-hexoxy-2-oxidanylidene-ethyl)-1-(phenylcarbonyl)pyrrol-3-yl]ethanoate

Systemtic Name: hexyl 2-[4-(2-hexoxy-2-oxidanylidene-ethyl)-1-(phenylcarbonyl)pyrrol-3-yl]ethanoate Openeye Name: hexyl 2-[1-benzoyl-4-(2-hexoxy-2-oxo-ethyl)pyrrol-3-yl]acetate CAS Name: 2-[1-benzoyl-4-(2-hexoxy-2-oxoethyl)-3-pyrrolyl]acetic acid hexyl ester IUPAC Name: hexyl 2-[1-benzoyl-4-(2-hexoxy-2-oxoethyl)pyrrol-3-yl]acetate Traditional Name: 2-[1-benzoyl-4-(2-hexoxy-2-keto-ethyl)pyrrol-3-yl]acetic acid hexyl ester Formula: C27H37NO5 MolecularWeight: 455.58638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CC1=CN(C=C1CC(=O)OCCCCCC)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCOC(=O)CC1=CN(C=C1CC(=O)OCCCCCC)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C27H37NO5/c1-3-5-7-12-16-32-25(29)18-23-20-28(27(31)22-14-10-9-11-15-22)21-24(23)19-26(30)33-17-13-8-6-4-2/h9-11,14-15,20-21H,3-8,12-13,16-19H2,1-2H3