tert-butyl 8-cyano-5-phenyl-3,4,6,8a-tetrahydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 8-cyano-5-phenyl-3,4,6,8a-tetrahydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 8-cyano-5-phenyl-3,4,6,8a-tetrahydro-1H-isoquinoline-2-carboxylate CAS Name: 8-cyano-5-phenyl-3,4,6,8a-tetrahydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-cyano-5-phenyl-3,4,6,8a-tetrahydro-1H-isoquinoline-2-carboxylate Traditional Name: 8-cyano-5-phenyl-3,4,6,8a-tetrahydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(CC=C(C2C1)C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(CC=C(C2C1)C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O2/c1-21(2,3)25-20(24)23-12-11-18-17(15-7-5-4-6-8-15)10-9-16(13-22)19(18)14-23/h4-9,19H,10-12,14H2,1-3H3