[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] anthracene-9-carboxylate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] anthracene-9-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C26H21NO3 MolecularWeight: 395.44984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C26H21NO3/c28-24(27-14-13-18-7-1-2-10-21(18)16-27)17-30-26(29)25-22-11-5-3-8-19(22)15-20-9-4-6-12-23(20)25/h1-12,15H,13-14,16-17H2