dimethyl (E)-2-[2-[2-(3-ethynylphenyl)ethynyl]-6-methoxy-2H-quinolin-1-yl]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[2-[2-(3-ethynylphenyl)ethynyl]-6-methoxy-2H-quinolin-1-yl]but-2-enedioate Openeye Name: dimethyl (E)-2-[2-[2-(3-ethynylphenyl)ethynyl]-6-methoxy-2H-quinolin-1-yl]but-2-enedioate CAS Name: (E)-2-[2-[2-(3-ethynylphenyl)ethynyl]-6-methoxy-2H-quinolin-1-yl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[2-[2-(3-ethynylphenyl)ethynyl]-6-methoxy-2H-quinolin-1-yl]but-2-enedioate Traditional Name: (E)-2-[2-[2-(3-ethynylphenyl)ethynyl]-6-methoxy-2H-quinolin-1-yl]but-2-enedioic acid dimethyl ester Formula: C26H21NO5 MolecularWeight: 427.44864

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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#C)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(=C/C(=O)OC)/C(=O)OC

InChI

InChI=1S/C26H21NO5/c1-5-18-7-6-8-19(15-18)9-11-21-12-10-20-16-22(30-2)13-14-23(20)27(21)24(26(29)32-4)17-25(28)31-3/h1,6-8,10,12-17,21H,2-4H3/b24-17+