methyl 6-butyl-4-oxidanylidene-7-phenylmethoxy-1H-quinoline-3-carboxylate

Systemtic Name: methyl 6-butyl-4-oxidanylidene-7-phenylmethoxy-1H-quinoline-3-carboxylate Openeye Name: methyl 7-benzyloxy-6-butyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6-butyl-4-oxo-7-phenylmethoxy-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 6-butyl-4-oxo-7-phenylmethoxy-1H-quinoline-3-carboxylate Traditional Name: 7-benzoxy-6-butyl-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO4/c1-3-4-10-16-11-17-19(23-13-18(21(17)24)22(25)26-2)12-20(16)27-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,24)