1-[5-methyl-1,3-bis(phenylmethyl)pyrrol-2-yl]octadecan-1-one

Systemtic Name: 1-[5-methyl-1,3-bis(phenylmethyl)pyrrol-2-yl]octadecan-1-one Openeye Name: 1-(1,3-dibenzyl-5-methyl-pyrrol-2-yl)octadecan-1-one CAS Name: 1-[5-methyl-1,3-bis(phenylmethyl)-2-pyrrolyl]-1-octadecanone IUPAC Name: 1-(1,3-dibenzyl-5-methylpyrrol-2-yl)octadecan-1-one Traditional Name: 1-(1,3-dibenzyl-5-methyl-pyrrol-2-yl)octadecan-1-one Formula: C37H53NO MolecularWeight: 527.82282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(C=C(N1CC2=CC=CC=C2)C)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(C=C(N1CC2=CC=CC=C2)C)CC3=CC=CC=C3

InChI

InChI=1S/C37H53NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-36(39)37-35(30-33-24-19-17-20-25-33)29-32(2)38(37)31-34-26-21-18-22-27-34/h17-22,24-27,29H,3-16,23,28,30-31H2,1-2H3