tert-butyl 2-[(3S,4S)-3-isocyano-2-oxidanylidene-3,4,6-triphenyl-4H-pyridin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[(3S,4S)-3-isocyano-2-oxidanylidene-3,4,6-triphenyl-4H-pyridin-1-yl]ethanoate Openeye Name: tert-butyl 2-[(3S,4S)-3-isocyano-2-oxo-3,4,6-triphenyl-4H-pyridin-1-yl]acetate CAS Name: 2-[(3S,4S)-3-isocyano-2-oxo-3,4,6-triphenyl-4H-pyridin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3S,4S)-3-isocyano-2-oxo-3,4,6-triphenyl-4H-pyridin-1-yl]acetate Traditional Name: 2-[(3S,4S)-3-isocyano-2-keto-3,4,6-triphenyl-4H-pyridin-1-yl]acetic acid tert-butyl ester Formula: C30H28N2O3 MolecularWeight: 464.55492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(=CC(C(C1=O)(C2=CC=CC=C2)[N+]#[C-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(=C[C@H]([C@@](C1=O)(C2=CC=CC=C2)[N+]#[C-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H28N2O3/c1-29(2,3)35-27(33)21-32-26(23-16-10-6-11-17-23)20-25(22-14-8-5-9-15-22)30(31-4,28(32)34)24-18-12-7-13-19-24/h5-20,25H,21H2,1-3H3/t25-,30+/m0/s1