[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 6-(cyclopropylamino)pyridine-3-carboxylate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 6-(cyclopropylamino)pyridine-3-carboxylate Openeye Name: (2-indan-5-yl-2-oxo-ethyl) 6-(cyclopropylamino)pyridine-3-carboxylate CAS Name: 6-(cyclopropylamino)-3-pyridinecarboxylic acid [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 6-(cyclopropylamino)pyridine-3-carboxylate Traditional Name: 6-(cyclopropylamino)nicotinic acid (2-indan-5-yl-2-keto-ethyl) ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)COC(=O)C3=CN=C(C=C3)NC4CC4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)COC(=O)C3=CN=C(C=C3)NC4CC4

InChI

InChI=1S/C20H20N2O3/c23-18(15-5-4-13-2-1-3-14(13)10-15)12-25-20(24)16-6-9-19(21-11-16)22-17-7-8-17/h4-6,9-11,17H,1-3,7-8,12H2,(H,21,22)