7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[1-[(tert-butylamino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C28H30FN3O5 MolecularWeight: 507.553303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1C2=CC=CC=C2CCN1C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CC(C)(C)NC(=O)C1C2=CC=CC=C2CCN1C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C28H30FN3O5/c1-28(2,3)30-26(34)22-17-8-6-5-7-15(17)11-12-31(22)23-20(29)13-18-21(25(23)37-4)32(16-9-10-16)14-19(24(18)33)27(35)36/h5-8,13-14,16,22H,9-12H2,1-4H3,(H,30,34)(H,35,36)