4-butyl-3,5-dimethyl-1H-pyrrole-2-carbaldehyde

Systemtic Name: 4-butyl-3,5-dimethyl-1H-pyrrole-2-carbaldehyde Openeye Name: 4-butyl-3,5-dimethyl-1H-pyrrole-2-carbaldehyde CAS Name: 4-butyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde IUPAC Name: 4-butyl-3,5-dimethyl-1H-pyrrole-2-carbaldehyde Traditional Name: 4-butyl-3,5-dimethyl-1H-pyrrole-2-carbaldehyde Formula: C11H17NO MolecularWeight: 179.25878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=C1C)C=O)C

Isomeric SMILES

CCCCC1=C(NC(=C1C)C=O)C

InChI

InChI=1S/C11H17NO/c1-4-5-6-10-8(2)11(7-13)12-9(10)3/h7,12H,4-6H2,1-3H3