1-[3-(benzimidazol-1-yl)propylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol hydrate

Systemtic Name: 1-[3-(benzimidazol-1-yl)propylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol hydrate Openeye Name: 1-[3-(benzimidazol-1-yl)propylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol hydrate CAS Name: 1-[3-(1-benzimidazolyl)propylamino]-3-[4-(2-methoxyethyl)phenoxy]-2-propanol hydrate IUPAC Name: 1-[3-(benzimidazol-1-yl)propylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol hydrate Traditional Name: 1-[3-(benzimidazol-1-yl)propylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol hydrate Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1=CC=C(C=C1)OCC(CNCCCN2C=NC3=CC=CC=C32)O.O

Isomeric SMILES

COCCC1=CC=C(C=C1)OCC(CNCCCN2C=NC3=CC=CC=C32)O.O

InChI

InChI=1S/C22H29N3O3.H2O/c1-27-14-11-18-7-9-20(10-8-18)28-16-19(26)15-23-12-4-13-25-17-24-21-5-2-3-6-22(21)25;/h2-3,5-10,17,19,23,26H,4,11-16H2,1H3;1H2