tert-butyl N-[(E,3S)-1-cyano-6-oxidanylidene-6-[(triphenylmethyl)amino]hex-1-en-3-yl]carbamate

Systemtic Name: tert-butyl N-[(E,3S)-1-cyano-6-oxidanylidene-6-[(triphenylmethyl)amino]hex-1-en-3-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(E)-2-cyanovinyl]-4-oxo-4-(tritylamino)butyl]carbamate CAS Name: N-[(E,3S)-1-cyano-6-oxo-6-[(triphenylmethyl)amino]hex-1-en-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E,3S)-1-cyano-6-oxo-6-(tritylamino)hex-1-en-3-yl]carbamate Traditional Name: N-[(E,1S)-3-cyano-1-[3-keto-3-(tritylamino)propyl]allyl]carbamic acid tert-butyl ester Formula: C31H33N3O3 MolecularWeight: 495.61202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C=CC#N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C=C/C#N

InChI

InChI=1S/C31H33N3O3/c1-30(2,3)37-29(36)33-27(20-13-23-32)21-22-28(35)34-31(24-14-7-4-8-15-24,25-16-9-5-10-17-25)26-18-11-6-12-19-26/h4-20,27H,21-22H2,1-3H3,(H,33,36)(H,34,35)/b20-13+/t27-/m1/s1