tert-butyl N-[(Z,3S,4S)-5,5-dicyano-4-cyclohexyl-3-phenyl-pent-1-enyl]-N-(4-methoxyphenyl)carbamate

Systemtic Name: tert-butyl N-[(Z,3S,4S)-5,5-dicyano-4-cyclohexyl-3-phenyl-pent-1-enyl]-N-(4-methoxyphenyl)carbamate Openeye Name: tert-butyl N-[(Z,3S,4S)-5,5-dicyano-4-cyclohexyl-3-phenyl-pent-1-enyl]-N-(4-methoxyphenyl)carbamate CAS Name: N-[(Z,3S,4S)-5,5-dicyano-4-cyclohexyl-3-phenylpent-1-enyl]-N-(4-methoxyphenyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(Z,3S,4S)-5,5-dicyano-4-cyclohexyl-3-phenylpent-1-enyl]-N-(4-methoxyphenyl)carbamate Traditional Name: N-[(Z,3S,4S)-5,5-dicyano-4-cyclohexyl-3-phenyl-pent-1-enyl]-N-(4-methoxyphenyl)carbamic acid tert-butyl ester Formula: C31H37N3O3 MolecularWeight: 499.64378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C=CC(C1=CC=CC=C1)C(C2CCCCC2)C(C#N)C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N(/C=C\[C@@H](C1=CC=CC=C1)[C@H](C2CCCCC2)C(C#N)C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C31H37N3O3/c1-31(2,3)37-30(35)34(26-15-17-27(36-4)18-16-26)20-19-28(23-11-7-5-8-12-23)29(25(21-32)22-33)24-13-9-6-10-14-24/h5,7-8,11-12,15-20,24-25,28-29H,6,9-10,13-14H2,1-4H3/b20-19-/t28-,29+/m0/s1