dimethyl (E)-2-[6-methoxy-2-(2-phenylethynyl)-2H-quinolin-1-yl]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[6-methoxy-2-(2-phenylethynyl)-2H-quinolin-1-yl]but-2-enedioate Openeye Name: dimethyl (E)-2-[6-methoxy-2-(2-phenylethynyl)-2H-quinolin-1-yl]but-2-enedioate CAS Name: (E)-2-[6-methoxy-2-(2-phenylethynyl)-2H-quinolin-1-yl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[6-methoxy-2-(2-phenylethynyl)-2H-quinolin-1-yl]but-2-enedioate Traditional Name: (E)-2-[6-methoxy-2-(2-phenylethynyl)-2H-quinolin-1-yl]but-2-enedioic acid dimethyl ester Formula: C24H21NO5 MolecularWeight: 403.42724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(C=C2)C#CC3=CC=CC=C3)C(=CC(=O)OC)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(C=C2)C#CC3=CC=CC=C3)/C(=C/C(=O)OC)/C(=O)OC

InChI

InChI=1S/C24H21NO5/c1-28-20-13-14-21-18(15-20)10-12-19(11-9-17-7-5-4-6-8-17)25(21)22(24(27)30-3)16-23(26)29-2/h4-8,10,12-16,19H,1-3H3/b22-16+