tert-butyl 4-[2-fluoranyl-5-methoxy-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]carbonyl-phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-fluoranyl-5-methoxy-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]carbonyl-phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-fluoro-5-methoxy-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carbonyl]phenoxy]piperidine-1-carboxylate CAS Name: 4-[2-fluoro-5-methoxy-4-[oxo-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]methyl]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-fluoro-5-methoxy-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carbonyl]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[2-fluoro-4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidine-1-carbonyl]-5-methoxy-phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H38FN3O7 MolecularWeight: 583.647723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=C(C=C(C(=C2)OC)C(=O)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=C(C=C(C(=C2)OC)C(=O)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)F

InChI

InChI=1S/C31H38FN3O7/c1-31(2,3)42-29(37)34-15-11-22(12-16-34)41-27-18-26(39-4)23(17-24(27)32)28(36)33-13-9-21(10-14-33)35-25-8-6-5-7-20(25)19-40-30(35)38/h5-8,17-18,21-22H,9-16,19H2,1-4H3