1,3-benzodioxol-5-ylmethyl 3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid piperonyl ester Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(C)O)C)C(=O)OCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(NC(=C1[C@H](C)O)C)C(=O)OCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19NO5/c1-9-15(11(3)19)10(2)18-16(9)17(20)21-7-12-4-5-13-14(6-12)23-8-22-13/h4-6,11,18-19H,7-8H2,1-3H3/t11-/m0/s1