3-[[3-(4-tert-butylphenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-(4-tert-butylphenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(4-tert-butylphenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-(4-tert-butylphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-(4-tert-butylphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(4-tert-butylphenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3/c1-21(2,3)17-9-7-14(8-10-17)11-16(13-22)19(24)23-18-6-4-5-15(12-18)20(25)26/h4-12H,1-3H3,(H,23,24)(H,25,26)