tert-butyl 4-[[1-(4,6,7-trimethoxyquinazolin-2-yl)piperidin-4-yl]amino]benzoate

Systemtic Name: tert-butyl 4-[[1-(4,6,7-trimethoxyquinazolin-2-yl)piperidin-4-yl]amino]benzoate Openeye Name: tert-butyl 4-[[1-(4,6,7-trimethoxyquinazolin-2-yl)-4-piperidyl]amino]benzoate CAS Name: 4-[[1-(4,6,7-trimethoxy-2-quinazolinyl)-4-piperidinyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-(4,6,7-trimethoxyquinazolin-2-yl)piperidin-4-yl]amino]benzoate Traditional Name: 4-[[1-(4,6,7-trimethoxyquinazolin-2-yl)-4-piperidyl]amino]benzoic acid tert-butyl ester Formula: C27H34N4O5 MolecularWeight: 494.58266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)NC2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)OC)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)NC2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)OC)OC)OC

InChI

InChI=1S/C27H34N4O5/c1-27(2,3)36-25(32)17-7-9-18(10-8-17)28-19-11-13-31(14-12-19)26-29-21-16-23(34-5)22(33-4)15-20(21)24(30-26)35-6/h7-10,15-16,19,28H,11-14H2,1-6H3