methyl 2-(3,3-dimethyl-1-quinolin-3-yl-4H-isoquinolin-5-yl)ethanoate

Systemtic Name: methyl 2-(3,3-dimethyl-1-quinolin-3-yl-4H-isoquinolin-5-yl)ethanoate Openeye Name: methyl 2-[3,3-dimethyl-1-(3-quinolyl)-4H-isoquinolin-5-yl]acetate CAS Name: 2-[3,3-dimethyl-1-(3-quinolinyl)-4H-isoquinolin-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-(3,3-dimethyl-1-quinolin-3-yl-4H-isoquinolin-5-yl)acetate Traditional Name: 2-[3,3-dimethyl-1-(3-quinolyl)-4H-isoquinolin-5-yl]acetic acid methyl ester Formula: C23H22N2O2 MolecularWeight: 358.43298

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC=C2CC(=O)OC)C(=N1)C3=CC4=CC=CC=C4N=C3)C

Isomeric SMILES

CC1(CC2=C(C=CC=C2CC(=O)OC)C(=N1)C3=CC4=CC=CC=C4N=C3)C

InChI

InChI=1S/C23H22N2O2/c1-23(2)13-19-15(12-21(26)27-3)8-6-9-18(19)22(25-23)17-11-16-7-4-5-10-20(16)24-14-17/h4-11,14H,12-13H2,1-3H3