tert-butyl (3S,4E)-4-ethylidene-1-oxidanylidene-3-propan-2-yl-3H-isoquinoline-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1C(N(C(=O)C2=CC=CC=C21)C(=O)OC(C)(C)C)C(C)C

Isomeric SMILES

C/C=C\1/[C@@H](N(C(=O)C2=CC=CC=C21)C(=O)OC(C)(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/h7-12,16H,1-6H3/b13-7+/t16-/m0/s1