1-[1-(4-methylphenyl)-4-octanoyl-2,5-diphenyl-pyrrol-3-yl]octan-1-one

Systemtic Name: 1-[1-(4-methylphenyl)-4-octanoyl-2,5-diphenyl-pyrrol-3-yl]octan-1-one Openeye Name: 1-[4-octanoyl-2,5-diphenyl-1-(p-tolyl)pyrrol-3-yl]octan-1-one CAS Name: 1-[1-(4-methylphenyl)-4-(1-oxooctyl)-2,5-diphenyl-3-pyrrolyl]-1-octanone IUPAC Name: 1-[1-(4-methylphenyl)-4-octanoyl-2,5-diphenylpyrrol-3-yl]octan-1-one Traditional Name: 1-[4-caprylyl-2,5-diphenyl-1-(p-tolyl)pyrrol-3-yl]octan-1-one Formula: C39H47NO2 MolecularWeight: 561.79598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=C(N(C(=C1C(=O)CCCCCCC)C2=CC=CC=C2)C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCC(=O)C1=C(N(C(=C1C(=O)CCCCCCC)C2=CC=CC=C2)C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C39H47NO2/c1-4-6-8-10-18-24-34(41)36-37(35(42)25-19-11-9-7-5-2)39(32-22-16-13-17-23-32)40(33-28-26-30(3)27-29-33)38(36)31-20-14-12-15-21-31/h12-17,20-23,26-29H,4-11,18-19,24-25H2,1-3H3