[1-(3-tert-butyl-4-phenylmethoxy-phenyl)-3-cyano-propan-2-yl]carbamic acid

Systemtic Name: [1-(3-tert-butyl-4-phenylmethoxy-phenyl)-3-cyano-propan-2-yl]carbamic acid Openeye Name: [1-[(4-benzyloxy-3-tert-butyl-phenyl)methyl]-2-cyano-ethyl]carbamic acid CAS Name: [1-(3-tert-butyl-4-phenylmethoxyphenyl)-3-cyanopropan-2-yl]carbamic acid IUPAC Name: [1-(3-tert-butyl-4-phenylmethoxyphenyl)-3-cyanopropan-2-yl]carbamic acid Traditional Name: [1-(4-benzoxy-3-tert-butyl-benzyl)-2-cyano-ethyl]carbamic acid Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)CC(CC#N)NC(=O)O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)CC(CC#N)NC(=O)O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O3/c1-22(2,3)19-14-17(13-18(11-12-23)24-21(25)26)9-10-20(19)27-15-16-7-5-4-6-8-16/h4-10,14,18,24H,11,13,15H2,1-3H3,(H,25,26)