ethyl 1-ethyl-4-[(E)-3-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-ethyl-4-[(E)-3-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-ethyl-4-[(E)-3-[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-4-[(E)-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxoprop-1-enyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-4-[(E)-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxoprop-1-enyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-4-[(E)-3-[(3-fluoro-4-methoxy-benzyl)-methyl-amino]-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H29FN2O4 MolecularWeight: 416.485763

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)C(=O)OCC)C=CC(=O)N(C)CC2=CC(=C(C=C2)OC)F)C

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)/C=C/C(=O)N(C)CC2=CC(=C(C=C2)OC)F)C

InChI

InChI=1S/C23H29FN2O4/c1-7-26-15(3)18(22(16(26)4)23(28)30-8-2)10-12-21(27)25(5)14-17-9-11-20(29-6)19(24)13-17/h9-13H,7-8,14H2,1-6H3/b12-10+