(phenylmethyl) 8-(5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl)quinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 8-(5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl)quinoline-2-carboxylate Openeye Name: benzyl 8-(1-oxotetralin-5-yl)quinoline-2-carboxylate CAS Name: 8-(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)-2-quinolinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 8-(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)quinoline-2-carboxylate Traditional Name: 8-(1-ketotetralin-5-yl)quinaldic acid benzyl ester Formula: C27H21NO3 MolecularWeight: 407.46054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2C(=O)C1)C3=CC=CC4=C3N=C(C=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C=CC=C2C(=O)C1)C3=CC=CC4=C3N=C(C=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H21NO3/c29-25-14-6-11-20-21(10-5-12-22(20)25)23-13-4-9-19-15-16-24(28-26(19)23)27(30)31-17-18-7-2-1-3-8-18/h1-5,7-10,12-13,15-16H,6,11,14,17H2