dimethyl (E)-2-[1-[2-(2-methoxynaphthalen-1-yl)ethynyl]-1H-isoquinolin-2-yl]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[1-[2-(2-methoxynaphthalen-1-yl)ethynyl]-1H-isoquinolin-2-yl]but-2-enedioate Openeye Name: dimethyl (E)-2-[1-[2-(2-methoxy-1-naphthyl)ethynyl]-1H-isoquinolin-2-yl]but-2-enedioate CAS Name: (E)-2-[1-[2-(2-methoxy-1-naphthalenyl)ethynyl]-1H-isoquinolin-2-yl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[1-[2-(2-methoxynaphthalen-1-yl)ethynyl]-1H-isoquinolin-2-yl]but-2-enedioate Traditional Name: (E)-2-[1-[2-(2-methoxy-1-naphthyl)ethynyl]-1H-isoquinolin-2-yl]but-2-enedioic acid dimethyl ester Formula: C28H23NO5 MolecularWeight: 453.48592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1)C#CC3C4=CC=CC=C4C=CN3C(=CC(=O)OC)C(=O)OC

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1)C#CC3C4=CC=CC=C4C=CN3/C(=C/C(=O)OC)/C(=O)OC

InChI

InChI=1S/C28H23NO5/c1-32-26-15-12-19-8-4-6-10-21(19)23(26)13-14-24-22-11-7-5-9-20(22)16-17-29(24)25(28(31)34-3)18-27(30)33-2/h4-12,15-18,24H,1-3H3/b25-18+