tert-butyl 6-[[4-fluoranyl-3-(isoquinolin-4-ylmethoxy)phenyl]carbonylamino]-3,4-dihydro-2H-quinoline-1-carboxylate

Systemtic Name: tert-butyl 6-[[4-fluoranyl-3-(isoquinolin-4-ylmethoxy)phenyl]carbonylamino]-3,4-dihydro-2H-quinoline-1-carboxylate Openeye Name: tert-butyl 6-[[4-fluoro-3-(4-isoquinolylmethoxy)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate CAS Name: 6-[[[4-fluoro-3-(4-isoquinolinylmethoxy)phenyl]-oxomethyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[[4-fluoro-3-(isoquinolin-4-ylmethoxy)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate Traditional Name: 6-[[4-fluoro-3-(4-isoquinolylmethoxy)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester Formula: C31H30FN3O4 MolecularWeight: 527.586003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC2=C1C=CC(=C2)NC(=O)C3=CC(=C(C=C3)F)OCC4=CN=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC2=C1C=CC(=C2)NC(=O)C3=CC(=C(C=C3)F)OCC4=CN=CC5=CC=CC=C54

InChI

InChI=1S/C31H30FN3O4/c1-31(2,3)39-30(37)35-14-6-8-20-15-24(11-13-27(20)35)34-29(36)21-10-12-26(32)28(16-21)38-19-23-18-33-17-22-7-4-5-9-25(22)23/h4-5,7,9-13,15-18H,6,8,14,19H2,1-3H3,(H,34,36)