ethyl 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC=C1C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(NC=C1C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H19NO5/c1-3-25-21(23)19-16(14-6-9-17-18(10-14)27-12-26-17)11-22-20(19)13-4-7-15(24-2)8-5-13/h4-11,22H,3,12H2,1-2H3