2-[(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-prop-1-enyl)amino]-4,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid

Systemtic Name: 2-[(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-prop-1-enyl)amino]-4,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid Openeye Name: 1-benzyl-2-[(3-ethoxy-2-ethoxycarbonyl-3-oxo-prop-1-enyl)amino]-4,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 2-[(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)amino]-4,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-benzyl-2-[(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)amino]-4,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-benzyl-2-[(2-carbethoxy-3-ethoxy-3-keto-prop-1-enyl)amino]-4,5-dimethyl-pyrrole-3-carboxylic acid Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=C(C(=C(N1CC2=CC=CC=C2)C)C)C(=O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=C(C(=C(N1CC2=CC=CC=C2)C)C)C(=O)O)C(=O)OCC

InChI

InChI=1S/C22H26N2O6/c1-5-29-21(27)17(22(28)30-6-2)12-23-19-18(20(25)26)14(3)15(4)24(19)13-16-10-8-7-9-11-16/h7-12,23H,5-6,13H2,1-4H3,(H,25,26)