2-[1,3-benzodioxol-5-ylmethyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]ethanoic acid

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]ethanoic acid Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]acetic acid CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-(6,7,8-trimethoxy-4-quinazolinyl)amino]acetic acid IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]acetic acid Traditional Name: 2-[piperonyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]acetic acid Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C(=NC=N2)N(CC3=CC4=C(C=C3)OCO4)CC(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C(=NC=N2)N(CC3=CC4=C(C=C3)OCO4)CC(=O)O)OC)OC

InChI

InChI=1S/C21H21N3O7/c1-27-16-7-13-18(20(29-3)19(16)28-2)22-10-23-21(13)24(9-17(25)26)8-12-4-5-14-15(6-12)31-11-30-14/h4-7,10H,8-9,11H2,1-3H3,(H,25,26)