ethyl (4R,4aR)-2-methyl-5-oxidanylidene-4-(4-oxidanylidenechromen-3-yl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: ethyl (4R,4aR)-2-methyl-5-oxidanylidene-4-(4-oxidanylidenechromen-3-yl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: ethyl (4R,4aR)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R,4aR)-2-methyl-5-oxo-4-(4-oxo-1-benzopyran-3-yl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,4aR)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R,4aR)-5-keto-4-(4-ketochromen-3-yl)-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid ethyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2CCCC(=O)C2C1C3=COC4=CC=CC=C4C3=O)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2CCCC(=O)[C@@H]2[C@@H]1C3=COC4=CC=CC=C4C3=O)C

InChI

InChI=1S/C22H21NO5/c1-3-27-22(26)18-12(2)23-15-8-6-9-16(24)20(15)19(18)14-11-28-17-10-5-4-7-13(17)21(14)25/h4-5,7,10-11,19-20H,3,6,8-9H2,1-2H3/t19-,20-/m1/s1