(2-phenylmethoxyphenyl) 4-azanyl-5-fluoranyl-spiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate

Systemtic Name: (2-phenylmethoxyphenyl) 4-azanyl-5-fluoranyl-spiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate Openeye Name: (2-benzyloxyphenyl) 4-amino-5-fluoro-spiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate CAS Name: 4-amino-5-fluoro-1'-spiro[1H-quinazoline-2,4'-piperidine]carboxylic acid (2-phenylmethoxyphenyl) ester IUPAC Name: (2-phenylmethoxyphenyl) 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate Traditional Name: 4-amino-5-fluoro-spiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylic acid (2-benzoxyphenyl) ester Formula: C26H25FN4O3 MolecularWeight: 460.500103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12NC3=C(C(=CC=C3)F)C(=N2)N)C(=O)OC4=CC=CC=C4OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC12NC3=C(C(=CC=C3)F)C(=N2)N)C(=O)OC4=CC=CC=C4OCC5=CC=CC=C5

InChI

InChI=1S/C26H25FN4O3/c27-19-9-6-10-20-23(19)24(28)30-26(29-20)13-15-31(16-14-26)25(32)34-22-12-5-4-11-21(22)33-17-18-7-2-1-3-8-18/h1-12,29H,13-17H2,(H2,28,30)