3-[6-[(2R)-2-oxidanyl-4-pyridin-3-yl-butoxy]naphthalen-2-yl]propyl 3-cyanopropanoate

Systemtic Name: 3-[6-[(2R)-2-oxidanyl-4-pyridin-3-yl-butoxy]naphthalen-2-yl]propyl 3-cyanopropanoate Openeye Name: 3-[6-[(2R)-2-hydroxy-4-(3-pyridyl)butoxy]-2-naphthyl]propyl 3-cyanopropanoate CAS Name: 3-cyanopropanoic acid 3-[6-[(2R)-2-hydroxy-4-(3-pyridinyl)butoxy]-2-naphthalenyl]propyl ester IUPAC Name: 3-[6-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]naphthalen-2-yl]propyl 3-cyanopropanoate Traditional Name: 3-cyanopropionic acid 3-[6-[(2R)-2-hydroxy-4-(3-pyridyl)butoxy]-2-naphthyl]propyl ester Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCC(COC2=CC3=C(C=C2)C=C(C=C3)CCCOC(=O)CCC#N)O

Isomeric SMILES

C1=CC(=CN=C1)CC[C@H](COC2=CC3=C(C=C2)C=C(C=C3)CCCOC(=O)CCC#N)O

InChI

InChI=1S/C26H28N2O4/c27-13-1-6-26(30)31-15-3-5-20-7-9-23-17-25(12-10-22(23)16-20)32-19-24(29)11-8-21-4-2-14-28-18-21/h2,4,7,9-10,12,14,16-18,24,29H,1,3,5-6,8,11,15,19H2/t24-/m1/s1