2,5-dimethyl-1-[(2S)-pentan-2-yl]pyrrole-3-carbaldehyde

Systemtic Name: 2,5-dimethyl-1-[(2S)-pentan-2-yl]pyrrole-3-carbaldehyde Openeye Name: 2,5-dimethyl-1-[(1S)-1-methylbutyl]pyrrole-3-carbaldehyde CAS Name: 2,5-dimethyl-1-[(2S)-pentan-2-yl]-3-pyrrolecarboxaldehyde IUPAC Name: 2,5-dimethyl-1-[(2S)-pentan-2-yl]pyrrole-3-carbaldehyde Traditional Name: 2,5-dimethyl-1-[(1S)-1-methylbutyl]pyrrole-3-carbaldehyde Formula: C12H19NO MolecularWeight: 193.28536

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C(=CC(=C1C)C=O)C

Isomeric SMILES

CCC[C@H](C)N1C(=CC(=C1C)C=O)C

InChI

InChI=1S/C12H19NO/c1-5-6-9(2)13-10(3)7-12(8-14)11(13)4/h7-9H,5-6H2,1-4H3/t9-/m0/s1