3-[[2-cyano-3-[4-(diethylamino)-2-methoxy-phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-[4-(diethylamino)-2-methoxy-phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[4-(diethylamino)-2-methoxy-phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[4-(diethylamino)-2-methoxyphenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[4-(diethylamino)-2-methoxyphenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[4-(diethylamino)-2-methoxy-phenyl]acryloyl]amino]benzoic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-4-25(5-2)19-10-9-15(20(13-19)29-3)11-17(14-23)21(26)24-18-8-6-7-16(12-18)22(27)28/h6-13H,4-5H2,1-3H3,(H,24,26)(H,27,28)