ethyl 4-[2-[(3-fluorophenyl)carbonyl-prop-2-enyl-amino]propanoyl]-1,3,5-trimethyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[2-[(3-fluorophenyl)carbonyl-prop-2-enyl-amino]propanoyl]-1,3,5-trimethyl-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-[allyl-(3-fluorobenzoyl)amino]propanoyl]-1,3,5-trimethyl-pyrrole-2-carboxylate CAS Name: 4-[2-[[(3-fluorophenyl)-oxomethyl]-prop-2-enylamino]-1-oxopropyl]-1,3,5-trimethyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3-fluorobenzoyl)-prop-2-enylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate Traditional Name: 4-[2-[allyl-(3-fluorobenzoyl)amino]propanoyl]-1,3,5-trimethyl-pyrrole-2-carboxylic acid ethyl ester Formula: C23H27FN2O4 MolecularWeight: 414.469883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)C(C)N(CC=C)C(=O)C2=CC(=CC=C2)F)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)C(C)N(CC=C)C(=O)C2=CC(=CC=C2)F)C

InChI

InChI=1S/C23H27FN2O4/c1-7-12-26(22(28)17-10-9-11-18(24)13-17)16(5)21(27)19-14(3)20(23(29)30-8-2)25(6)15(19)4/h7,9-11,13,16H,1,8,12H2,2-6H3