[(Z,5S)-5,6-dimethyl-6-oxidanyl-1-phenyl-hept-3-en-1-yn-3-yl] N,N-di(propan-2-yl)carbamate

Systemtic Name: [(Z,5S)-5,6-dimethyl-6-oxidanyl-1-phenyl-hept-3-en-1-yn-3-yl] N,N-di(propan-2-yl)carbamate Openeye Name: [(Z,3S)-4-hydroxy-3,4-dimethyl-1-(2-phenylethynyl)pent-1-enyl] N,N-diisopropylcarbamate CAS Name: N,N-di(propan-2-yl)carbamic acid [(Z,5S)-6-hydroxy-5,6-dimethyl-1-phenylhept-3-en-1-yn-3-yl] ester IUPAC Name: [(Z,5S)-6-hydroxy-5,6-dimethyl-1-phenylhept-3-en-1-yn-3-yl] N,N-di(propan-2-yl)carbamate Traditional Name: N,N-diisopropylcarbamic acid [(Z,3S)-4-hydroxy-3,4-dimethyl-1-(2-phenylethynyl)pent-1-enyl] ester Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)OC(=CC(C)C(C)(C)O)C#CC1=CC=CC=C1

Isomeric SMILES

C[C@@H](/C=C(/C#CC1=CC=CC=C1)\OC(=O)N(C(C)C)C(C)C)C(C)(C)O

InChI

InChI=1S/C22H31NO3/c1-16(2)23(17(3)4)21(24)26-20(15-18(5)22(6,7)25)14-13-19-11-9-8-10-12-19/h8-12,15-18,25H,1-7H3/b20-15-/t18-/m0/s1