pyrrol-1-ylmethyl 2-(1,3-benzodioxol-5-yl)-3-methyl-butanoate

Systemtic Name: pyrrol-1-ylmethyl 2-(1,3-benzodioxol-5-yl)-3-methyl-butanoate Openeye Name: pyrrol-1-ylmethyl 2-(1,3-benzodioxol-5-yl)-3-methyl-butanoate CAS Name: 2-(1,3-benzodioxol-5-yl)-3-methylbutanoic acid 1-pyrrolylmethyl ester IUPAC Name: pyrrol-1-ylmethyl 2-(1,3-benzodioxol-5-yl)-3-methylbutanoate Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-methyl-butyric acid pyrrol-1-ylmethyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCO2)C(=O)OCN3C=CC=C3

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)OCO2)C(=O)OCN3C=CC=C3

InChI

InChI=1S/C17H19NO4/c1-12(2)16(17(19)20-10-18-7-3-4-8-18)13-5-6-14-15(9-13)22-11-21-14/h3-9,12,16H,10-11H2,1-2H3