[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] chromane-3-carboxylate CAS Name: 3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: chroman-3-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2CC3=CC=CC=C3OC2

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2CC3=CC=CC=C3OC2

InChI

InChI=1S/C18H20N2O4/c19-12-18(7-3-4-8-18)20-16(21)11-24-17(22)14-9-13-5-1-2-6-15(13)23-10-14/h1-2,5-6,14H,3-4,7-11H2,(H,20,21)