ethyl 2,5-dimethyl-4-[2-[(E)-3-quinolin-8-ylprop-2-enoyl]oxyethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[(E)-3-quinolin-8-ylprop-2-enoyl]oxyethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-[(E)-3-(8-quinolyl)prop-2-enoyl]oxyacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-[(E)-1-oxo-3-(8-quinolinyl)prop-2-enoxy]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-[(E)-3-quinolin-8-ylprop-2-enoyl]oxyacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[(E)-3-(8-quinolyl)acryloyl]oxyacetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H22N2O5 MolecularWeight: 406.43118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C=CC2=CC=CC3=C2N=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)/C=C/C2=CC=CC3=C2N=CC=C3)C)C

InChI

InChI=1S/C23H22N2O5/c1-4-29-23(28)21-15(3)25-14(2)20(21)18(26)13-30-19(27)11-10-17-8-5-7-16-9-6-12-24-22(16)17/h5-12,25H,4,13H2,1-3H3/b11-10+