6-butyl-4-oxidanylidene-7-phenylmethoxy-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-butyl-4-oxidanylidene-7-phenylmethoxy-1H-quinoline-3-carboxylic acid Openeye Name: 7-benzyloxy-6-butyl-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-butyl-4-oxo-7-phenylmethoxy-1H-quinoline-3-carboxylic acid IUPAC Name: 6-butyl-4-oxo-7-phenylmethoxy-1H-quinoline-3-carboxylic acid Traditional Name: 7-benzoxy-6-butyl-4-keto-1H-quinoline-3-carboxylic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21NO4/c1-2-3-9-15-10-16-18(22-12-17(20(16)23)21(24)25)11-19(15)26-13-14-7-5-4-6-8-14/h4-8,10-12H,2-3,9,13H2,1H3,(H,22,23)(H,24,25)