tert-butyl (3S,4R)-4-ethenyl-1-oxidanylidene-3-propan-2-yl-3,4-dihydroisoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S,4R)-4-ethenyl-1-oxidanylidene-3-propan-2-yl-3,4-dihydroisoquinoline-2-carboxylate Openeye Name: tert-butyl (3S,4R)-3-isopropyl-1-oxo-4-vinyl-3,4-dihydroisoquinoline-2-carboxylate CAS Name: (3S,4R)-4-ethenyl-1-oxo-3-propan-2-yl-3,4-dihydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4R)-4-ethenyl-1-oxo-3-propan-2-yl-3,4-dihydroisoquinoline-2-carboxylate Traditional Name: (3S,4R)-3-isopropyl-1-keto-4-vinyl-3,4-dihydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C19H25NO3 MolecularWeight: 315.4067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(C2=CC=CC=C2C(=O)N1C(=O)OC(C)(C)C)C=C

Isomeric SMILES

CC(C)[C@H]1[C@@H](C2=CC=CC=C2C(=O)N1C(=O)OC(C)(C)C)C=C

InChI

InChI=1S/C19H25NO3/c1-7-13-14-10-8-9-11-15(14)17(21)20(16(13)12(2)3)18(22)23-19(4,5)6/h7-13,16H,1H2,2-6H3/t13-,16+/m1/s1