dimethyl (E)-2-[2-[2-(4-methoxyphenyl)ethynyl]-6-methyl-2H-quinolin-1-yl]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[2-[2-(4-methoxyphenyl)ethynyl]-6-methyl-2H-quinolin-1-yl]but-2-enedioate Openeye Name: dimethyl (E)-2-[2-[2-(4-methoxyphenyl)ethynyl]-6-methyl-2H-quinolin-1-yl]but-2-enedioate CAS Name: (E)-2-[2-[2-(4-methoxyphenyl)ethynyl]-6-methyl-2H-quinolin-1-yl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[2-[2-(4-methoxyphenyl)ethynyl]-6-methyl-2H-quinolin-1-yl]but-2-enedioate Traditional Name: (E)-2-[2-[2-(4-methoxyphenyl)ethynyl]-6-methyl-2H-quinolin-1-yl]but-2-enedioic acid dimethyl ester Formula: C25H23NO5 MolecularWeight: 417.45382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(C=C2)C#CC3=CC=C(C=C3)OC)C(=CC(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(C=C2)C#CC3=CC=C(C=C3)OC)/C(=C/C(=O)OC)/C(=O)OC

InChI

InChI=1S/C25H23NO5/c1-17-5-14-22-19(15-17)9-11-20(10-6-18-7-12-21(29-2)13-8-18)26(22)23(25(28)31-4)16-24(27)30-3/h5,7-9,11-16,20H,1-4H3/b23-16+