ethyl 2-(1-oxidanylidene-7-pyridin-4-yl-3,4-dihydroisoquinolin-2-yl)ethanoate

Systemtic Name: ethyl 2-(1-oxidanylidene-7-pyridin-4-yl-3,4-dihydroisoquinolin-2-yl)ethanoate Openeye Name: ethyl 2-[1-oxo-7-(4-pyridyl)-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-(1-oxo-7-pyridin-4-yl-3,4-dihydroisoquinolin-2-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(1-oxo-7-pyridin-4-yl-3,4-dihydroisoquinolin-2-yl)acetate Traditional Name: 2-[1-keto-7-(4-pyridyl)-3,4-dihydroisoquinolin-2-yl]acetic acid ethyl ester Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC2=C(C1=O)C=C(C=C2)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)CN1CCC2=C(C1=O)C=C(C=C2)C3=CC=NC=C3

InChI

InChI=1S/C18H18N2O3/c1-2-23-17(21)12-20-10-7-14-3-4-15(11-16(14)18(20)22)13-5-8-19-9-6-13/h3-6,8-9,11H,2,7,10,12H2,1H3