3,5-dimethyl-4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: 3,5-dimethyl-4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate Openeye Name: 3,5-dimethyl-4-[(E)-3-(4-morpholinophenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[(E)-3-[4-(4-morpholinyl)phenyl]-1-oxoprop-2-enyl]-1H-pyrrole-2-carboxylate IUPAC Name: 3,5-dimethyl-4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[(E)-3-(4-morpholinophenyl)acryloyl]-1H-pyrrole-2-carboxylate Formula: C20H21N2O4- MolecularWeight: 353.39174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C=CC2=CC=C(C=C2)N3CCOCC3)C)C(=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)/C=C/C2=CC=C(C=C2)N3CCOCC3)C)C(=O)[O-]

InChI

InChI=1S/C20H22N2O4/c1-13-18(14(2)21-19(13)20(24)25)17(23)8-5-15-3-6-16(7-4-15)22-9-11-26-12-10-22/h3-8,21H,9-12H2,1-2H3,(H,24,25)/p-1/b8-5+