tert-butyl 6-[(E)-2-(6-cyanonaphthalen-2-yl)ethenyl]-4-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 6-[(E)-2-(6-cyanonaphthalen-2-yl)ethenyl]-4-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-[(E)-2-(6-cyano-2-naphthyl)vinyl]-4-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-[(E)-2-(6-cyano-2-naphthalenyl)ethenyl]-4-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[(E)-2-(6-cyanonaphthalen-2-yl)ethenyl]-4-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-[(E)-2-(6-cyano-2-naphthyl)vinyl]-4-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C29H30N2O2 MolecularWeight: 438.5607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC2=C1C=C(C=C2)C=CC3=CC4=C(C=C3)C=C(C=C4)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1CN(CC2=C1C=C(C=C2)/C=C/C3=CC4=C(C=C3)C=C(C=C4)C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H30N2O2/c1-5-23-18-31(28(32)33-29(2,3)4)19-26-13-9-21(16-27(23)26)7-6-20-8-11-25-15-22(17-30)10-12-24(25)14-20/h6-16,23H,5,18-19H2,1-4H3/b7-6+