[3-[(4-bromophenyl)methyl]pyrrol-1-yl]methyl 2-(1,3-benzodioxol-5-yl)-3-methyl-butanoate

Systemtic Name: [3-[(4-bromophenyl)methyl]pyrrol-1-yl]methyl 2-(1,3-benzodioxol-5-yl)-3-methyl-butanoate Openeye Name: [3-[(4-bromophenyl)methyl]pyrrol-1-yl]methyl 2-(1,3-benzodioxol-5-yl)-3-methyl-butanoate CAS Name: 2-(1,3-benzodioxol-5-yl)-3-methylbutanoic acid [3-[(4-bromophenyl)methyl]-1-pyrrolyl]methyl ester IUPAC Name: [3-[(4-bromophenyl)methyl]pyrrol-1-yl]methyl 2-(1,3-benzodioxol-5-yl)-3-methylbutanoate Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-methyl-butyric acid [3-(4-bromobenzyl)pyrrol-1-yl]methyl ester Formula: C24H24BrNO4 MolecularWeight: 470.35566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCO2)C(=O)OCN3C=CC(=C3)CC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)OCO2)C(=O)OCN3C=CC(=C3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H24BrNO4/c1-16(2)23(19-5-8-21-22(12-19)30-15-29-21)24(27)28-14-26-10-9-18(13-26)11-17-3-6-20(25)7-4-17/h3-10,12-13,16,23H,11,14-15H2,1-2H3