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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C25H21NO4/c27-23(26-14-13-17-7-1-2-8-18(17)15-26)16-29-25(28)24-19-9-3-5-11-21(19)30-22-12-6-4-10-20(22)24/h1-12,24H,13-16H2