ethyl 4-[3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]piperazine-1-carboxylate CAS Name: 4-[3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate Traditional Name: 4-[3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(COC2=CC=C(C=C2)CC#N)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(COC2=CC=C(C=C2)CC#N)O

InChI

InChI=1S/C18H25N3O4/c1-2-24-18(23)21-11-9-20(10-12-21)13-16(22)14-25-17-5-3-15(4-6-17)7-8-19/h3-6,16,22H,2,7,9-14H2,1H3