(1-methyl-2-oxidanylidene-quinolin-6-yl)methyl (E)-3-(4-methoxyoxan-4-yl)but-2-enoate

Systemtic Name: (1-methyl-2-oxidanylidene-quinolin-6-yl)methyl (E)-3-(4-methoxyoxan-4-yl)but-2-enoate Openeye Name: (1-methyl-2-oxo-6-quinolyl)methyl (E)-3-(4-methoxytetrahydropyran-4-yl)but-2-enoate CAS Name: (E)-3-(4-methoxy-4-oxanyl)-2-butenoic acid (1-methyl-2-oxo-6-quinolinyl)methyl ester IUPAC Name: (1-methyl-2-oxoquinolin-6-yl)methyl (E)-3-(4-methoxyoxan-4-yl)but-2-enoate Traditional Name: (E)-3-(4-methoxytetrahydropyran-4-yl)but-2-enoic acid (2-keto-1-methyl-6-quinolyl)methyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC1=CC2=C(C=C1)N(C(=O)C=C2)C)C3(CCOCC3)OC

Isomeric SMILES

C/C(=C\C(=O)OCC1=CC2=C(C=C1)N(C(=O)C=C2)C)/C3(CCOCC3)OC

InChI

InChI=1S/C21H25NO5/c1-15(21(25-3)8-10-26-11-9-21)12-20(24)27-14-16-4-6-18-17(13-16)5-7-19(23)22(18)2/h4-7,12-13H,8-11,14H2,1-3H3/b15-12+