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

Systemtic Name: tert-butyl 6-[(E)-2-(6-cyanonaphthalen-2-yl)ethenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-[(E)-2-(6-cyano-2-naphthyl)vinyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-[(E)-2-(6-cyano-2-naphthalenyl)ethenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[(E)-2-(6-cyanonaphthalen-2-yl)ethenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-[(E)-2-(6-cyano-2-naphthyl)vinyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C27H26N2O2 MolecularWeight: 410.50754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)C=CC3=CC4=C(C=C3)C=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)/C=C/C3=CC4=C(C=C3)C=C(C=C4)C#N

InChI

InChI=1S/C27H26N2O2/c1-27(2,3)31-26(30)29-13-12-24-15-20(7-11-25(24)18-29)5-4-19-6-9-23-16-21(17-28)8-10-22(23)14-19/h4-11,14-16H,12-13,18H2,1-3H3/b5-4+