4-[[2-[2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-[2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]phenoxy]methyl]benzoic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=CC1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

CC(C)NC(=O)C(=CC1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)O)C#N

InChI

InChI=1S/C21H20N2O4/c1-14(2)23-20(24)18(12-22)11-17-5-3-4-6-19(17)27-13-15-7-9-16(10-8-15)21(25)26/h3-11,14H,13H2,1-2H3,(H,23,24)(H,25,26)