tert-butyl (3S,4R)-4-ethenyl-3-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S,4R)-4-ethenyl-3-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S,4R)-3-isopropyl-4-vinyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S,4R)-4-ethenyl-3-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4R)-4-ethenyl-3-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S,4R)-3-isopropyl-4-vinyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C19H27NO2 MolecularWeight: 301.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(C2=CC=CC=C2CN1C(=O)OC(C)(C)C)C=C

Isomeric SMILES

CC(C)[C@H]1[C@@H](C2=CC=CC=C2CN1C(=O)OC(C)(C)C)C=C

InChI

InChI=1S/C19H27NO2/c1-7-15-16-11-9-8-10-14(16)12-20(17(15)13(2)3)18(21)22-19(4,5)6/h7-11,13,15,17H,1,12H2,2-6H3/t15-,17+/m1/s1