2-[[(E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-(4-morpholinophenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-[4-(4-morpholinyl)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-(4-morpholinophenyl)acryloyl]amino]benzoic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H19N3O4/c22-14-16(20(25)23-19-4-2-1-3-18(19)21(26)27)13-15-5-7-17(8-6-15)24-9-11-28-12-10-24/h1-8,13H,9-12H2,(H,23,25)(H,26,27)/b16-13+