methyl 4-(2-ethynyl-5-methanoyl-4-methyl-1H-pyrrol-3-yl)butanoate

Systemtic Name: methyl 4-(2-ethynyl-5-methanoyl-4-methyl-1H-pyrrol-3-yl)butanoate Openeye Name: methyl 4-(2-ethynyl-5-formyl-4-methyl-1H-pyrrol-3-yl)butanoate CAS Name: 4-(2-ethynyl-5-formyl-4-methyl-1H-pyrrol-3-yl)butanoic acid methyl ester IUPAC Name: methyl 4-(2-ethynyl-5-formyl-4-methyl-1H-pyrrol-3-yl)butanoate Traditional Name: 4-(2-ethynyl-5-formyl-4-methyl-1H-pyrrol-3-yl)butyric acid methyl ester Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCCC(=O)OC)C#C)C=O

Isomeric SMILES

CC1=C(NC(=C1CCCC(=O)OC)C#C)C=O

InChI

InChI=1S/C13H15NO3/c1-4-11-10(6-5-7-13(16)17-3)9(2)12(8-15)14-11/h1,8,14H,5-7H2,2-3H3