2-tert-butyl-4-(3-fluoranyl-6-methoxy-7-phenylmethoxy-quinolin-4-yl)piperazine-1-carboxylic acid

Systemtic Name: 2-tert-butyl-4-(3-fluoranyl-6-methoxy-7-phenylmethoxy-quinolin-4-yl)piperazine-1-carboxylic acid Openeye Name: 4-(7-benzyloxy-3-fluoro-6-methoxy-4-quinolyl)-2-tert-butyl-piperazine-1-carboxylic acid CAS Name: 2-tert-butyl-4-(3-fluoro-6-methoxy-7-phenylmethoxy-4-quinolinyl)-1-piperazinecarboxylic acid IUPAC Name: 2-tert-butyl-4-(3-fluoro-6-methoxy-7-phenylmethoxyquinolin-4-yl)piperazine-1-carboxylic acid Traditional Name: 4-(7-benzoxy-3-fluoro-6-methoxy-4-quinolyl)-2-tert-butyl-piperazine-1-carboxylic acid Formula: C26H30FN3O4 MolecularWeight: 467.532503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CN(CCN1C(=O)O)C2=C(C=NC3=CC(=C(C=C32)OC)OCC4=CC=CC=C4)F

Isomeric SMILES

CC(C)(C)C1CN(CCN1C(=O)O)C2=C(C=NC3=CC(=C(C=C32)OC)OCC4=CC=CC=C4)F

InChI

InChI=1S/C26H30FN3O4/c1-26(2,3)23-15-29(10-11-30(23)25(31)32)24-18-12-21(33-4)22(13-20(18)28-14-19(24)27)34-16-17-8-6-5-7-9-17/h5-9,12-14,23H,10-11,15-16H2,1-4H3,(H,31,32)