ethyl 1-ethyl-4-[(E)-3-[(2-fluorophenyl)methylamino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-ethyl-4-[(E)-3-[(2-fluorophenyl)methylamino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-ethyl-4-[(E)-3-[(2-fluorophenyl)methylamino]-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-4-[(E)-3-[(2-fluorophenyl)methylamino]-3-oxoprop-1-enyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-4-[(E)-3-[(2-fluorophenyl)methylamino]-3-oxoprop-1-enyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-4-[(E)-3-[(2-fluorobenzyl)amino]-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25FN2O3 MolecularWeight: 372.433203

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)C(=O)OCC)C=CC(=O)NCC2=CC=CC=C2F)C

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)/C=C/C(=O)NCC2=CC=CC=C2F)C

InChI

InChI=1S/C21H25FN2O3/c1-5-24-14(3)17(20(15(24)4)21(26)27-6-2)11-12-19(25)23-13-16-9-7-8-10-18(16)22/h7-12H,5-6,13H2,1-4H3,(H,23,25)/b12-11+