[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] pyridine-3-carboxylate

Systemtic Name: [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] pyridine-3-carboxylate Openeye Name: [(1R)-2-indan-5-yl-1-methyl-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [(1R)-2-indan-5-yl-2-keto-1-methyl-ethyl] ester Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3=CN=CC=C3

Isomeric SMILES

C[C@H](C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H17NO3/c1-12(22-18(21)16-6-3-9-19-11-16)17(20)15-8-7-13-4-2-5-14(13)10-15/h3,6-12H,2,4-5H2,1H3/t12-/m1/s1