3-[[2-cyano-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-(4-isopropoxyphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-1-oxo-3-(4-propan-2-yloxyphenyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(4-isopropoxyphenyl)acryloyl]amino]benzoic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C20H18N2O4/c1-13(2)26-18-8-6-14(7-9-18)10-16(12-21)19(23)22-17-5-3-4-15(11-17)20(24)25/h3-11,13H,1-2H3,(H,22,23)(H,24,25)