[2-heptadecyl-4-(4-methylphenyl)-1H-pyrrol-3-yl]-phenyl-methanone

Systemtic Name: [2-heptadecyl-4-(4-methylphenyl)-1H-pyrrol-3-yl]-phenyl-methanone Openeye Name: [2-heptadecyl-4-(p-tolyl)-1H-pyrrol-3-yl]-phenyl-methanone CAS Name: [2-heptadecyl-4-(4-methylphenyl)-1H-pyrrol-3-yl]-phenylmethanone IUPAC Name: [2-heptadecyl-4-(4-methylphenyl)-1H-pyrrol-3-yl]-phenylmethanone Traditional Name: [2-heptadecyl-4-(p-tolyl)-1H-pyrrol-3-yl]-phenyl-methanone Formula: C35H49NO MolecularWeight: 499.76966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=C(C(=CN1)C2=CC=C(C=C2)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=C(C(=CN1)C2=CC=C(C=C2)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C35H49NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-33-34(35(37)31-21-18-17-19-22-31)32(28-36-33)30-26-24-29(2)25-27-30/h17-19,21-22,24-28,36H,3-16,20,23H2,1-2H3