4-[3-[2-(4-acetamidophenoxy)ethylamino]-2-oxidanyl-propoxy]-N-methyl-benzamide hydrate

Systemtic Name: 4-[3-[2-(4-acetamidophenoxy)ethylamino]-2-oxidanyl-propoxy]-N-methyl-benzamide hydrate Openeye Name: 4-[3-[2-(4-acetamidophenoxy)ethylamino]-2-hydroxy-propoxy]-N-methyl-benzamide hydrate CAS Name: 4-[3-[2-(4-acetamidophenoxy)ethylamino]-2-hydroxypropoxy]-N-methylbenzamide hydrate IUPAC Name: 4-[3-[2-(4-acetamidophenoxy)ethylamino]-2-hydroxypropoxy]-N-methylbenzamide hydrate Traditional Name: 4-[3-[2-(4-acetamidophenoxy)ethylamino]-2-hydroxy-propoxy]-N-methyl-benzamide hydrate Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCCNCC(COC2=CC=C(C=C2)C(=O)NC)O.O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OCCNCC(COC2=CC=C(C=C2)C(=O)NC)O.O

InChI

InChI=1S/C21H27N3O5.H2O/c1-15(25)24-17-5-9-19(10-6-17)28-12-11-23-13-18(26)14-29-20-7-3-16(4-8-20)21(27)22-2;/h3-10,18,23,26H,11-14H2,1-2H3,(H,22,27)(H,24,25);1H2