4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-phenyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-phenyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[N-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[N-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[N-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]anilino]-4-oxobutanoic acid Traditional Name: 4-[N-[(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl]anilino]-4-keto-butyric acid Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)CN(C2=CC=CC=C2)C(=O)CCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)CN(C2=CC=CC=C2)C(=O)CCC(=O)O)C

InChI

InChI=1S/C20H24N2O5/c1-4-27-20(26)19-13(2)16(14(3)21-19)12-22(15-8-6-5-7-9-15)17(23)10-11-18(24)25/h5-9,21H,4,10-12H2,1-3H3,(H,24,25)