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

Systemtic Name: 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-(4-fluorophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[N-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]-4-fluoro-anilino]-4-oxo-butanoate CAS Name: 4-[N-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]-4-fluoroanilino]-4-oxobutanoate IUPAC Name: 4-[N-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]-4-fluoroanilino]-4-oxobutanoate Traditional Name: 4-[N-[(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl]-4-fluoro-anilino]-4-keto-butyrate Formula: C20H22FN2O5- MolecularWeight: 389.397483

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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)CCC(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O5/c1-4-28-20(27)19-12(2)16(13(3)22-19)11-23(17(24)9-10-18(25)26)15-7-5-14(21)6-8-15/h5-8,22H,4,9-11H2,1-3H3,(H,25,26)/p-1