[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate CAS Name: 3-phenyl-2,1-benzoxazole-5-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate Traditional Name: 3-phenylanthranil-5-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4

InChI

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