4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-7-methyl-chromen-2-one Openeye Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-7-methyl-chromen-2-one CAS Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-7-methylchromen-2-one Traditional Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-7-methyl-coumarin Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H19NO3/c1-14-6-7-18-17(12-21(24)25-19(18)10-14)11-20(23)22-9-8-15-4-2-3-5-16(15)13-22/h2-7,10,12H,8-9,11,13H2,1H3