3-[5-[(E)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]furan-2-yl]-2-methyl-benzoic acid

Systemtic Name: 3-[5-[(E)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]furan-2-yl]-2-methyl-benzoic acid Openeye Name: 3-[5-[(E)-2-cyano-3-oxo-3-(tetrahydrofuran-2-ylmethylamino)prop-1-enyl]-2-furyl]-2-methyl-benzoic acid CAS Name: 3-[5-[(E)-2-cyano-3-oxo-3-(2-oxolanylmethylamino)prop-1-enyl]-2-furanyl]-2-methylbenzoic acid IUPAC Name: 3-[5-[(E)-2-cyano-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-enyl]furan-2-yl]-2-methylbenzoic acid Traditional Name: 3-[5-[(E)-2-cyano-3-keto-3-(tetrahydrofurfurylamino)prop-1-enyl]-2-furyl]-2-methyl-benzoic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C(C#N)C(=O)NCC3CCCO3

Isomeric SMILES

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)/C=C(\C#N)/C(=O)NCC3CCCO3

InChI

InChI=1S/C21H20N2O5/c1-13-17(5-2-6-18(13)21(25)26)19-8-7-15(28-19)10-14(11-22)20(24)23-12-16-4-3-9-27-16/h2,5-8,10,16H,3-4,9,12H2,1H3,(H,23,24)(H,25,26)/b14-10+