ethyl 4-(4-butoxyphenyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(4-butoxyphenyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-(4-butoxyphenyl)-1H-pyrrole-3-carboxylate CAS Name: 4-(4-butoxyphenyl)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butoxyphenyl)-1H-pyrrole-3-carboxylate Traditional Name: 4-(4-butoxyphenyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CNC=C2C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CNC=C2C(=O)OCC

InChI

InChI=1S/C17H21NO3/c1-3-5-10-21-14-8-6-13(7-9-14)15-11-18-12-16(15)17(19)20-4-2/h6-9,11-12,18H,3-5,10H2,1-2H3