2-deuterio-2-methyl-5-oxidanyl-4-oxidanylidene-3-(3-oxidanylidenebutyl)-7-(5-phenylpentan-2-yloxy)-3H-quinoline-1-carbaldehyde

Systemtic Name: 2-deuterio-2-methyl-5-oxidanyl-4-oxidanylidene-3-(3-oxidanylidenebutyl)-7-(5-phenylpentan-2-yloxy)-3H-quinoline-1-carbaldehyde Openeye Name: 2-deuterio-5-hydroxy-2-methyl-7-(1-methyl-4-phenyl-butoxy)-4-oxo-3-(3-oxobutyl)-3H-quinoline-1-carbaldehyde CAS Name: 2-deuterio-5-hydroxy-2-methyl-4-oxo-3-(3-oxobutyl)-7-(5-phenylpentan-2-yloxy)-3H-quinoline-1-carboxaldehyde IUPAC Name: 2-deuterio-5-hydroxy-2-methyl-4-oxo-3-(3-oxobutyl)-7-(5-phenylpentan-2-yloxy)-3H-quinoline-1-carbaldehyde Traditional Name: 2-deuterio-5-hydroxy-4-keto-3-(3-ketobutyl)-2-methyl-7-(1-methyl-4-phenyl-butoxy)-3H-quinoline-1-carbaldehyde Formula: C26H31NO5 MolecularWeight: 438.534202

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)C2=C(C=C(C=C2N1C=O)OC(C)CCCC3=CC=CC=C3)O)CCC(=O)C

Isomeric SMILES

[2H]C1(C(C(=O)C2=C(C=C(C=C2N1C=O)OC(C)CCCC3=CC=CC=C3)O)CCC(=O)C)C

InChI

InChI=1S/C26H31NO5/c1-17(29)12-13-22-19(3)27(16-28)23-14-21(15-24(30)25(23)26(22)31)32-18(2)8-7-11-20-9-5-4-6-10-20/h4-6,9-10,14-16,18-19,22,30H,7-8,11-13H2,1-3H3/i19D