[(Z,1R,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxy-hex-3-enyl] 4-nitrobenzoate

Systemtic Name: [(Z,1R,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxy-hex-3-enyl] 4-nitrobenzoate Openeye Name: [(Z,1R,5R)-6-benzyloxy-3,5-dimethyl-1-phenyl-hex-3-enyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(Z,1R,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-enyl] ester IUPAC Name: [(Z,1R,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-enyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(Z,1R,5R)-6-benzoxy-3,5-dimethyl-1-phenyl-hex-3-enyl] ester Formula: C28H29NO5 MolecularWeight: 459.53356

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC=CC=C1)C=C(C)CC(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](COCC1=CC=CC=C1)/C=C(/C)\C[C@H](C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C28H29NO5/c1-21(17-22(2)19-33-20-23-9-5-3-6-10-23)18-27(24-11-7-4-8-12-24)34-28(30)25-13-15-26(16-14-25)29(31)32/h3-17,22,27H,18-20H2,1-2H3/b21-17-/t22-,27-/m1/s1