1-[2-methyl-1,4-bis(phenylmethyl)pyrrol-3-yl]octadecan-1-one

Systemtic Name: 1-[2-methyl-1,4-bis(phenylmethyl)pyrrol-3-yl]octadecan-1-one Openeye Name: 1-(1,4-dibenzyl-2-methyl-pyrrol-3-yl)octadecan-1-one CAS Name: 1-[2-methyl-1,4-bis(phenylmethyl)-3-pyrrolyl]-1-octadecanone IUPAC Name: 1-(1,4-dibenzyl-2-methylpyrrol-3-yl)octadecan-1-one Traditional Name: 1-(1,4-dibenzyl-2-methyl-pyrrol-3-yl)octadecan-1-one Formula: C37H53NO MolecularWeight: 527.82282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C=C1CC2=CC=CC=C2)CC3=CC=CC=C3)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C=C1CC2=CC=CC=C2)CC3=CC=CC=C3)C

InChI

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