2-chloranyl-6-[2-oxidanyl-2-[(2S,4R)-4-(4-propan-2-ylphenoxy)pyrrolidin-2-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 2-chloranyl-6-[2-oxidanyl-2-[(2S,4R)-4-(4-propan-2-ylphenoxy)pyrrolidin-2-yl]ethoxy]benzenecarbonitrile Openeye Name: 2-chloro-6-[2-hydroxy-2-[(2S,4R)-4-(4-isopropylphenoxy)pyrrolidin-2-yl]ethoxy]benzonitrile CAS Name: 2-chloro-6-[2-hydroxy-2-[(2S,4R)-4-(4-propan-2-ylphenoxy)-2-pyrrolidinyl]ethoxy]benzonitrile IUPAC Name: 2-chloro-6-[2-hydroxy-2-[(2S,4R)-4-(4-propan-2-ylphenoxy)pyrrolidin-2-yl]ethoxy]benzonitrile Traditional Name: 2-chloro-6-[2-hydroxy-2-[(2S,4R)-4-(4-isopropylphenoxy)pyrrolidin-2-yl]ethoxy]benzonitrile Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2CC(NC2)C(COC3=C(C(=CC=C3)Cl)C#N)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)O[C@@H]2C[C@H](NC2)C(COC3=C(C(=CC=C3)Cl)C#N)O

InChI

InChI=1S/C22H25ClN2O3/c1-14(2)15-6-8-16(9-7-15)28-17-10-20(25-12-17)21(26)13-27-22-5-3-4-19(23)18(22)11-24/h3-9,14,17,20-21,25-26H,10,12-13H2,1-2H3/t17-,20+,21?/m1/s1