tert-butyl 1-[3-[4-(1,3-benzodioxol-4-ylamino)-6-methoxy-quinazolin-7-yl]oxypropyl]piperazine-2-carboxylate

Systemtic Name: tert-butyl 1-[3-[4-(1,3-benzodioxol-4-ylamino)-6-methoxy-quinazolin-7-yl]oxypropyl]piperazine-2-carboxylate Openeye Name: tert-butyl 1-[3-[4-(1,3-benzodioxol-4-ylamino)-6-methoxy-quinazolin-7-yl]oxypropyl]piperazine-2-carboxylate CAS Name: 1-[3-[[4-(1,3-benzodioxol-4-ylamino)-6-methoxy-7-quinazolinyl]oxy]propyl]-2-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[3-[4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]piperazine-2-carboxylate Traditional Name: 1-[3-[4-(1,3-benzodioxol-4-ylamino)-6-methoxy-quinazolin-7-yl]oxypropyl]piperazine-2-carboxylic acid tert-butyl ester Formula: C28H35N5O6 MolecularWeight: 537.6074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CNCCN1CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=C5C(=CC=C4)OCO5)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1CNCCN1CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=C5C(=CC=C4)OCO5)OC

InChI

InChI=1S/C28H35N5O6/c1-28(2,3)39-27(34)21-15-29-9-11-33(21)10-6-12-36-24-14-20-18(13-23(24)35-4)26(31-16-30-20)32-19-7-5-8-22-25(19)38-17-37-22/h5,7-8,13-14,16,21,29H,6,9-12,15,17H2,1-4H3,(H,30,31,32)