6-cycloheptyl-4-oxidanylidene-1H-quinoline-3-carboxylic acid; ethyl 6-cycloheptyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: 6-cycloheptyl-4-oxidanylidene-1H-quinoline-3-carboxylic acid; ethyl 6-cycloheptyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: 6-cycloheptyl-4-oxo-1H-quinoline-3-carboxylic acid; ethyl 6-cycloheptyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6-cycloheptyl-4-oxo-1H-quinoline-3-carboxylic acid; 6-cycloheptyl-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: 6-cycloheptyl-4-oxo-1H-quinoline-3-carboxylic acid; ethyl 6-cycloheptyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6-cycloheptyl-4-keto-1H-quinoline-3-carboxylic acid; 6-cycloheptyl-4-keto-1H-quinoline-3-carboxylic acid ethyl ester Formula: C36H42N2O6 MolecularWeight: 598.72848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)C3CCCCCC3.C1CCCC(CC1)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)C3CCCCCC3.C1CCCC(CC1)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)O

InChI

InChI=1S/C19H23NO3.C17H19NO3/c1-2-23-19(22)16-12-20-17-10-9-14(11-15(17)18(16)21)13-7-5-3-4-6-8-13;19-16-13-9-12(11-5-3-1-2-4-6-11)7-8-15(13)18-10-14(16)17(20)21/h9-13H,2-8H2,1H3,(H,20,21);7-11H,1-6H2,(H,18,19)(H,20,21)