octyl 2-[4-(2-octoxy-2-oxidanylidene-ethyl)-1-(phenylcarbonyl)pyrrol-3-yl]ethanoate

Systemtic Name: octyl 2-[4-(2-octoxy-2-oxidanylidene-ethyl)-1-(phenylcarbonyl)pyrrol-3-yl]ethanoate Openeye Name: octyl 2-[1-benzoyl-4-(2-octoxy-2-oxo-ethyl)pyrrol-3-yl]acetate CAS Name: 2-[1-benzoyl-4-(2-octoxy-2-oxoethyl)-3-pyrrolyl]acetic acid octyl ester IUPAC Name: octyl 2-[1-benzoyl-4-(2-octoxy-2-oxoethyl)pyrrol-3-yl]acetate Traditional Name: 2-[1-benzoyl-4-(2-keto-2-octoxy-ethyl)pyrrol-3-yl]acetic acid octyl ester Formula: C31H45NO5 MolecularWeight: 511.6927

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC1=CN(C=C1CC(=O)OCCCCCCCC)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCOC(=O)CC1=CN(C=C1CC(=O)OCCCCCCCC)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C31H45NO5/c1-3-5-7-9-11-16-20-36-29(33)22-27-24-32(31(35)26-18-14-13-15-19-26)25-28(27)23-30(34)37-21-17-12-10-8-6-4-2/h13-15,18-19,24-25H,3-12,16-17,20-23H2,1-2H3