(2S)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol

Systemtic Name: (2S)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol Openeye Name: (2S)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol CAS Name: (2S)-1-(2-tert-butyl-4-methoxyphenoxy)-3-[3-(1-imidazolyl)propylamino]-2-propanol IUPAC Name: (2S)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol Traditional Name: (2S)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol Formula: C20H31N3O3 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)OC)OCC(CNCCCN2C=CN=C2)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)OC)OC[C@H](CNCCCN2C=CN=C2)O

InChI

InChI=1S/C20H31N3O3/c1-20(2,3)18-12-17(25-4)6-7-19(18)26-14-16(24)13-21-8-5-10-23-11-9-22-15-23/h6-7,9,11-12,15-16,21,24H,5,8,10,13-14H2,1-4H3/t16-/m0/s1