methyl 1-butanoyl-4-(4-ethylphenyl)-3-morpholin-4-yl-pyrrole-2-carboxylate

Systemtic Name: methyl 1-butanoyl-4-(4-ethylphenyl)-3-morpholin-4-yl-pyrrole-2-carboxylate Openeye Name: methyl 1-butanoyl-4-(4-ethylphenyl)-3-morpholino-pyrrole-2-carboxylate CAS Name: 4-(4-ethylphenyl)-3-(4-morpholinyl)-1-(1-oxobutyl)-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-butanoyl-4-(4-ethylphenyl)-3-morpholin-4-ylpyrrole-2-carboxylate Traditional Name: 1-butyryl-4-(4-ethylphenyl)-3-morpholino-pyrrole-2-carboxylic acid methyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C=C(C(=C1C(=O)OC)N2CCOCC2)C3=CC=C(C=C3)CC

Isomeric SMILES

CCCC(=O)N1C=C(C(=C1C(=O)OC)N2CCOCC2)C3=CC=C(C=C3)CC

InChI

InChI=1S/C22H28N2O4/c1-4-6-19(25)24-15-18(17-9-7-16(5-2)8-10-17)20(21(24)22(26)27-3)23-11-13-28-14-12-23/h7-10,15H,4-6,11-14H2,1-3H3