ethyl 3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]-4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: ethyl 3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]-4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: ethyl 3-[[methyl-[2-(4-pyridyl)ethyl]amino]methyl]-4-oxo-1H-quinoline-2-carboxylate CAS Name: 3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]-4-oxo-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 4-keto-3-[[methyl-[2-(4-pyridyl)ethyl]amino]methyl]-1H-quinoline-2-carboxylic acid ethyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)CN(C)CCC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)CN(C)CCC3=CC=NC=C3

InChI

InChI=1S/C21H23N3O3/c1-3-27-21(26)19-17(20(25)16-6-4-5-7-18(16)23-19)14-24(2)13-10-15-8-11-22-12-9-15/h4-9,11-12H,3,10,13-14H2,1-2H3,(H,23,25)