methyl 5-[2-[5-(4-chlorophenyl)pyridin-2-yl]ethynyl]-2-(2-pyrrolidin-1-ylethoxy)benzoate

Systemtic Name: methyl 5-[2-[5-(4-chlorophenyl)pyridin-2-yl]ethynyl]-2-(2-pyrrolidin-1-ylethoxy)benzoate Openeye Name: methyl 5-[2-[5-(4-chlorophenyl)-2-pyridyl]ethynyl]-2-(2-pyrrolidin-1-ylethoxy)benzoate CAS Name: 5-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-2-[2-(1-pyrrolidinyl)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 5-[2-[5-(4-chlorophenyl)pyridin-2-yl]ethynyl]-2-(2-pyrrolidin-1-ylethoxy)benzoate Traditional Name: 5-[2-[5-(4-chlorophenyl)-2-pyridyl]ethynyl]-2-(2-pyrrolidinoethoxy)benzoic acid methyl ester Formula: C27H25ClN2O3 MolecularWeight: 460.952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C#CC2=NC=C(C=C2)C3=CC=C(C=C3)Cl)OCCN4CCCC4

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C#CC2=NC=C(C=C2)C3=CC=C(C=C3)Cl)OCCN4CCCC4

InChI

InChI=1S/C27H25ClN2O3/c1-32-27(31)25-18-20(5-13-26(25)33-17-16-30-14-2-3-15-30)4-11-24-12-8-22(19-29-24)21-6-9-23(28)10-7-21/h5-10,12-13,18-19H,2-3,14-17H2,1H3