5-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-(4-fluorophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-(4-fluorophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[N-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]-4-fluoro-anilino]-5-oxo-pentanoate CAS Name: 5-[N-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]-4-fluoroanilino]-5-oxopentanoate IUPAC Name: 5-[N-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]-4-fluoroanilino]-5-oxopentanoate Traditional Name: 5-[N-[(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl]-4-fluoro-anilino]-5-keto-valerate Formula: C21H24FN2O5- MolecularWeight: 403.424063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)CN(C2=CC=C(C=C2)F)C(=O)CCCC(=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)CN(C2=CC=C(C=C2)F)C(=O)CCCC(=O)[O-])C

InChI

InChI=1S/C21H25FN2O5/c1-4-29-21(28)20-13(2)17(14(3)23-20)12-24(16-10-8-15(22)9-11-16)18(25)6-5-7-19(26)27/h8-11,23H,4-7,12H2,1-3H3,(H,26,27)/p-1