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

Systemtic Name: tert-butyl 6-[2-(6-cyanonaphthalen-2-yl)cyclopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-[2-(6-cyano-2-naphthyl)cyclopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-[2-(6-cyano-2-naphthalenyl)cyclopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[2-(6-cyanonaphthalen-2-yl)cyclopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-[2-(6-cyano-2-naphthyl)cyclopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)C3CC3C4=CC5=C(C=C4)C=C(C=C5)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)C3CC3C4=CC5=C(C=C4)C=C(C=C5)C#N

InChI

InChI=1S/C28H28N2O2/c1-28(2,3)32-27(31)30-11-10-21-14-23(8-9-24(21)17-30)26-15-25(26)22-7-6-19-12-18(16-29)4-5-20(19)13-22/h4-9,12-14,25-26H,10-11,15,17H2,1-3H3