4-[[(5S)-1-(4-carboxylatophenyl)-5-ethoxycarbonyl-5-methyl-2-oxidanylidene-pyrrol-3-yl]amino]benzoate

Systemtic Name: 4-[[(5S)-1-(4-carboxylatophenyl)-5-ethoxycarbonyl-5-methyl-2-oxidanylidene-pyrrol-3-yl]amino]benzoate Openeye Name: 4-[[(5S)-1-(4-carboxylatophenyl)-5-ethoxycarbonyl-5-methyl-2-oxo-pyrrol-3-yl]amino]benzoate CAS Name: 4-[[(5S)-1-(4-carboxylatophenyl)-5-ethoxycarbonyl-5-methyl-2-oxo-3-pyrrolyl]amino]benzoate IUPAC Name: 4-[[(5S)-1-(4-carboxylatophenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoate Traditional Name: 4-[[(5S)-5-carbethoxy-1-(4-carboxylatophenyl)-2-keto-5-methyl-3-pyrrolin-3-yl]amino]benzoate Formula: C22H18N2O7-2 MolecularWeight: 422.38752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C=C(C(=O)N1C2=CC=C(C=C2)C(=O)[O-])NC3=CC=C(C=C3)C(=O)[O-])C

Isomeric SMILES

CCOC(=O)[C@@]1(C=C(C(=O)N1C2=CC=C(C=C2)C(=O)[O-])NC3=CC=C(C=C3)C(=O)[O-])C

InChI

InChI=1S/C22H20N2O7/c1-3-31-21(30)22(2)12-17(23-15-8-4-13(5-9-15)19(26)27)18(25)24(22)16-10-6-14(7-11-16)20(28)29/h4-12,23H,3H2,1-2H3,(H,26,27)(H,28,29)/p-2/t22-/m0/s1