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

Systemtic Name: ethyl 5-[(E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-3-(4-morpholinophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-3-[4-(4-morpholinyl)phenyl]-1-oxoprop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-3-(4-morpholinophenyl)acryloyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(=CC2=CC=C(C=C2)N3CCOCC3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)/C(=C/C2=CC=C(C=C2)N3CCOCC3)/C#N)C

InChI

InChI=1S/C23H25N3O4/c1-4-30-23(28)20-15(2)21(25-16(20)3)22(27)18(14-24)13-17-5-7-19(8-6-17)26-9-11-29-12-10-26/h5-8,13,25H,4,9-12H2,1-3H3/b18-13+