ethyl 3,5-dimethyl-4-[(2S)-4-oxidanylbutan-2-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[(2S)-4-oxidanylbutan-2-yl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(1S)-3-hydroxy-1-methyl-propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(2S)-4-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-4-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(1S)-3-hydroxy-1-methyl-propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C13H21NO3 MolecularWeight: 239.31074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(C)CCO)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)[C@@H](C)CCO)C

InChI

InChI=1S/C13H21NO3/c1-5-17-13(16)12-9(3)11(10(4)14-12)8(2)6-7-15/h8,14-15H,5-7H2,1-4H3/t8-/m0/s1