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

Systemtic Name: [8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methyl-2-oxidanylidene-chromen-7-yl] benzoate Openeye Name: [8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methyl-2-oxo-chromen-7-yl] benzoate CAS Name: benzoic acid [8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methyl-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methyl-2-oxochromen-7-yl] benzoate Traditional Name: benzoic acid [8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-keto-4-methyl-chromen-7-yl] ester Formula: C27H23NO4 MolecularWeight: 425.47582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2CN3CCC4=CC=CC=C4C3)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2CN3CCC4=CC=CC=C4C3)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H23NO4/c1-18-15-25(29)32-26-22(18)11-12-24(31-27(30)20-8-3-2-4-9-20)23(26)17-28-14-13-19-7-5-6-10-21(19)16-28/h2-12,15H,13-14,16-17H2,1H3