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

Systemtic Name: ethyl 4-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(E)-3-[4-(1-imidazolyl)phenyl]-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-3-(4-imidazol-1-ylphenyl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C=CC2=CC=C(C=C2)N3C=CN=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)/C=C/C2=CC=C(C=C2)N3C=CN=C3)C

InChI

InChI=1S/C21H21N3O3/c1-4-27-21(26)20-14(2)19(15(3)23-20)18(25)10-7-16-5-8-17(9-6-16)24-12-11-22-13-24/h5-13,23H,4H2,1-3H3/b10-7+