[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxidanylidene-chromen-7-yl] benzoate

Systemtic Name: [8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxidanylidene-chromen-7-yl] benzoate Openeye Name: [8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxo-chromen-7-yl] benzoate CAS Name: benzoic acid [8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxochromen-7-yl] benzoate Traditional Name: benzoic acid [8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-keto-chromen-7-yl] ester Formula: C26H21NO4 MolecularWeight: 411.44924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=C(C=CC4=C3OC(=O)C=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=C(C=CC4=C3OC(=O)C=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H21NO4/c28-24-13-11-19-10-12-23(30-26(29)20-7-2-1-3-8-20)22(25(19)31-24)17-27-15-14-18-6-4-5-9-21(18)16-27/h1-13H,14-17H2