tert-butyl (2S)-2-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylcarbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylcarbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]ethylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[2-[1-(6,7-dimethoxy-4-quinazolinyl)-4-piperidinyl]ethylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]ethylcarbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H39N5O5 MolecularWeight: 513.62906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NCCC2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C27H39N5O5/c1-27(2,3)37-26(34)32-12-6-7-21(32)25(33)28-11-8-18-9-13-31(14-10-18)24-19-15-22(35-4)23(36-5)16-20(19)29-17-30-24/h15-18,21H,6-14H2,1-5H3,(H,28,33)/t21-/m0/s1