2-azanyl-4-[2-(4-butoxyphenyl)phenyl]carbonyl-quinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-4-[2-(4-butoxyphenyl)phenyl]carbonyl-quinoline-3-carboxylic acid Openeye Name: 2-amino-4-[2-(4-butoxyphenyl)benzoyl]quinoline-3-carboxylic acid CAS Name: 2-amino-4-[[2-(4-butoxyphenyl)phenyl]-oxomethyl]-3-quinolinecarboxylic acid IUPAC Name: 2-amino-4-[2-(4-butoxyphenyl)benzoyl]quinoline-3-carboxylic acid Traditional Name: 2-amino-4-[2-(4-butoxyphenyl)benzoyl]quinoline-3-carboxylic acid Formula: C27H24N2O4 MolecularWeight: 440.49046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CC=CC=C2C(=O)C3=C(C(=NC4=CC=CC=C43)N)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CC=CC=C2C(=O)C3=C(C(=NC4=CC=CC=C43)N)C(=O)O

InChI

InChI=1S/C27H24N2O4/c1-2-3-16-33-18-14-12-17(13-15-18)19-8-4-5-9-20(19)25(30)23-21-10-6-7-11-22(21)29-26(28)24(23)27(31)32/h4-15H,2-3,16H2,1H3,(H2,28,29)(H,31,32)