4-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]oxy-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]oxy-3-methoxy-benzenecarbonitrile Openeye Name: 4-[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethoxy]-3-methoxy-benzonitrile CAS Name: 4-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methoxybenzonitrile IUPAC Name: 4-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methoxybenzonitrile Traditional Name: 4-[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethoxy]-3-methoxy-benzonitrile Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC3=C(C=C(C=C3)C#N)OC

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)OC3=C(C=C(C=C3)C#N)OC

InChI

InChI=1S/C20H20N2O3/c1-14(25-18-8-7-15(12-21)11-19(18)24-2)20(23)22-10-9-16-5-3-4-6-17(16)13-22/h3-8,11,14H,9-10,13H2,1-2H3/t14-/m1/s1