[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylamino)benzoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylamino)benzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(2-furylmethylamino)benzoate CAS Name: 2-(2-furanylmethylamino)benzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate Traditional Name: 2-(2-furfurylamino)benzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)NCC3=CC=CO3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)NCC3=CC=CO3

InChI

InChI=1S/C22H19N3O4/c23-12-11-16-7-9-17(10-8-16)25-21(26)15-29-22(27)19-5-1-2-6-20(19)24-14-18-4-3-13-28-18/h1-10,13,24H,11,14-15H2,(H,25,26)