3-[[2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(3,4,5-trimethoxyphenyl)acryloyl]amino]benzoic acid Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C20H18N2O6/c1-26-16-8-12(9-17(27-2)18(16)28-3)7-14(11-21)19(23)22-15-6-4-5-13(10-15)20(24)25/h4-10H,1-3H3,(H,22,23)(H,24,25)