5-[3-(4-fluoranylphenoxy)propyl]-2,3-dimethoxy-4-piperidin-4-yl-benzamide hydrate

Systemtic Name: 5-[3-(4-fluoranylphenoxy)propyl]-2,3-dimethoxy-4-piperidin-4-yl-benzamide hydrate Openeye Name: 5-[3-(4-fluorophenoxy)propyl]-2,3-dimethoxy-4-(4-piperidyl)benzamide hydrate CAS Name: 5-[3-(4-fluorophenoxy)propyl]-2,3-dimethoxy-4-(4-piperidinyl)benzamide hydrate IUPAC Name: 5-[3-(4-fluorophenoxy)propyl]-2,3-dimethoxy-4-piperidin-4-ylbenzamide hydrate Traditional Name: 5-[3-(4-fluorophenoxy)propyl]-2,3-dimethoxy-4-(4-piperidyl)benzamide hydrate Formula: C23H31FN2O5 MolecularWeight: 434.501043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1C(=O)N)CCCOC2=CC=C(C=C2)F)C3CCNCC3)OC.O

Isomeric SMILES

COC1=C(C(=C(C=C1C(=O)N)CCCOC2=CC=C(C=C2)F)C3CCNCC3)OC.O

InChI

InChI=1S/C23H29FN2O4.H2O/c1-28-21-19(23(25)27)14-16(4-3-13-30-18-7-5-17(24)6-8-18)20(22(21)29-2)15-9-11-26-12-10-15;/h5-8,14-15,26H,3-4,9-13H2,1-2H3,(H2,25,27);1H2