ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6,7,8-trimethoxy-quinazolin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6,7,8-trimethoxy-quinazolin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6,7,8-trimethoxy-quinazolin-2-yl]piperidine-4-carboxylate CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6,7,8-trimethoxy-2-quinazolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6,7,8-trimethoxyquinazolin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[6,7,8-trimethoxy-4-(piperonylamino)quinazolin-2-yl]isonipecotic acid ethyl ester Formula: C27H32N4O7 MolecularWeight: 524.56558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC3=C(C(=C(C=C3C(=N2)NCC4=CC5=C(C=C4)OCO5)OC)OC)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=C(C(=C(C=C3C(=N2)NCC4=CC5=C(C=C4)OCO5)OC)OC)OC

InChI

InChI=1S/C27H32N4O7/c1-5-36-26(32)17-8-10-31(11-9-17)27-29-22-18(13-21(33-2)23(34-3)24(22)35-4)25(30-27)28-14-16-6-7-19-20(12-16)38-15-37-19/h6-7,12-13,17H,5,8-11,14-15H2,1-4H3,(H,28,29,30)