[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@H](C)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H21N3O3/c1-4-17-13(2)20(15-9-5-7-11-18(15)24-17)23(28)29-14(3)21-25-19-12-8-6-10-16(19)22(27)26-21/h5-12,14H,4H2,1-3H3,(H,25,26,27)/t14-/m1/s1