[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C22H20N2O4/c23-14-22(11-5-6-12-22)24-19(25)13-27-21(26)20-15-7-1-3-9-17(15)28-18-10-4-2-8-16(18)20/h1-4,7-10,20H,5-6,11-13H2,(H,24,25)