3-butanoyl-4-[(2-methyl-4-oxidanyl-phenyl)amino]quinoline-8-carbaldehyde

Systemtic Name: 3-butanoyl-4-[(2-methyl-4-oxidanyl-phenyl)amino]quinoline-8-carbaldehyde Openeye Name: 3-butanoyl-4-(4-hydroxy-2-methyl-anilino)quinoline-8-carbaldehyde CAS Name: 4-(4-hydroxy-2-methylanilino)-3-(1-oxobutyl)-8-quinolinecarboxaldehyde IUPAC Name: 3-butanoyl-4-(4-hydroxy-2-methylanilino)quinoline-8-carbaldehyde Traditional Name: 3-butyryl-4-(4-hydroxy-2-methyl-anilino)quinoline-8-carbaldehyde Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=C(C=C3)O)C)C=CC=C2C=O

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=C(C=C3)O)C)C=CC=C2C=O

InChI

InChI=1S/C21H20N2O3/c1-3-5-19(26)17-11-22-20-14(12-24)6-4-7-16(20)21(17)23-18-9-8-15(25)10-13(18)2/h4,6-12,25H,3,5H2,1-2H3,(H,22,23)