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

Systemtic Name: tert-butyl (3S,4R)-4-ethenyl-1-oxidanylidene-3-(phenylmethyl)-3,4-dihydroisoquinoline-2-carboxylate Openeye Name: tert-butyl (3S,4R)-3-benzyl-1-oxo-4-vinyl-3,4-dihydroisoquinoline-2-carboxylate CAS Name: (3S,4R)-4-ethenyl-1-oxo-3-(phenylmethyl)-3,4-dihydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4R)-3-benzyl-4-ethenyl-1-oxo-3,4-dihydroisoquinoline-2-carboxylate Traditional Name: (3S,4R)-3-benzyl-1-keto-4-vinyl-3,4-dihydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H25NO3 MolecularWeight: 363.4495

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C(C2=CC=CC=C2C1=O)C=C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H]([C@@H](C2=CC=CC=C2C1=O)C=C)CC3=CC=CC=C3

InChI

InChI=1S/C23H25NO3/c1-5-17-18-13-9-10-14-19(18)21(25)24(22(26)27-23(2,3)4)20(17)15-16-11-7-6-8-12-16/h5-14,17,20H,1,15H2,2-4H3/t17-,20+/m1/s1