1-[5-[[4-chloranyl-2-(hydroxymethyl)phenoxy]methyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile

Systemtic Name: 1-[5-[[4-chloranyl-2-(hydroxymethyl)phenoxy]methyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile Openeye Name: 1-[5-[[4-chloro-2-(hydroxymethyl)phenoxy]methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile CAS Name: 1-[[5-[[4-chloro-2-(hydroxymethyl)phenoxy]methyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarbonitrile IUPAC Name: 1-[5-[[4-chloro-2-(hydroxymethyl)phenoxy]methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile Traditional Name: 1-[5-[(4-chloro-2-methylol-phenoxy)methyl]prolyl]pyrrolidine-2-carbonitrile Formula: C18H22ClN3O3 MolecularWeight: 363.83858

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCC(N2)COC3=C(C=C(C=C3)Cl)CO)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCC(N2)COC3=C(C=C(C=C3)Cl)CO)C#N

InChI

InChI=1S/C18H22ClN3O3/c19-13-3-6-17(12(8-13)10-23)25-11-14-4-5-16(21-14)18(24)22-7-1-2-15(22)9-20/h3,6,8,14-16,21,23H,1-2,4-5,7,10-11H2