(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C21H17ClN2O6 MolecularWeight: 428.82248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C21H17ClN2O6/c1-27-15-4-2-12-6-14(20(22)24-16(12)8-15)10-28-19(25)9-23-21(26)13-3-5-17-18(7-13)30-11-29-17/h2-8H,9-11H2,1H3,(H,23,26)