3-[[3-[4-(carboxymethyloxy)-3-ethoxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-[4-(carboxymethyloxy)-3-ethoxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-[4-(carboxymethyloxy)-3-ethoxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-[4-(carboxymethyloxy)-3-ethoxyphenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-[4-(carboxymethyloxy)-3-ethoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[4-(carboxymethyloxy)-3-ethoxy-phenyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OCC(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OCC(=O)O

InChI

InChI=1S/C21H18N2O7/c1-2-29-18-9-13(6-7-17(18)30-12-19(24)25)8-15(11-22)20(26)23-16-5-3-4-14(10-16)21(27)28/h3-10H,2,12H2,1H3,(H,23,26)(H,24,25)(H,27,28)