5-[3-(4-fluoranylphenoxy)propyl]-2-methoxy-4-methyl-3-piperidin-4-yl-benzamide dihydrate

Systemtic Name: 5-[3-(4-fluoranylphenoxy)propyl]-2-methoxy-4-methyl-3-piperidin-4-yl-benzamide dihydrate Openeye Name: 5-[3-(4-fluorophenoxy)propyl]-2-methoxy-4-methyl-3-(4-piperidyl)benzamide dihydrate CAS Name: 5-[3-(4-fluorophenoxy)propyl]-2-methoxy-4-methyl-3-(4-piperidinyl)benzamide dihydrate IUPAC Name: 5-[3-(4-fluorophenoxy)propyl]-2-methoxy-4-methyl-3-piperidin-4-ylbenzamide dihydrate Traditional Name: 5-[3-(4-fluorophenoxy)propyl]-2-methoxy-4-methyl-3-(4-piperidyl)benzamide dihydrate Formula: C23H33FN2O5 MolecularWeight: 436.516923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C2CCNCC2)OC)C(=O)N)CCCOC3=CC=C(C=C3)F.O.O

Isomeric SMILES

CC1=C(C=C(C(=C1C2CCNCC2)OC)C(=O)N)CCCOC3=CC=C(C=C3)F.O.O

InChI

InChI=1S/C23H29FN2O3.2H2O/c1-15-17(4-3-13-29-19-7-5-18(24)6-8-19)14-20(23(25)27)22(28-2)21(15)16-9-11-26-12-10-16;;/h5-8,14,16,26H,3-4,9-13H2,1-2H3,(H2,25,27);2*1H2