ethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: ethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: ethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxo-1H-quinoline-2-carboxylate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxo-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-keto-1H-quinoline-2-carboxylic acid ethyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H22N2O3/c1-2-27-22(26)20-18(21(25)17-9-5-6-10-19(17)23-20)14-24-12-11-15-7-3-4-8-16(15)13-24/h3-10H,2,11-14H2,1H3,(H,23,25)