ethyl 3-(5-cyano-1-benzofuran-2-yl)-2-[4-(1-ethanoylpyrrolidin-3-yl)oxyphenyl]propanoate

Systemtic Name: ethyl 3-(5-cyano-1-benzofuran-2-yl)-2-[4-(1-ethanoylpyrrolidin-3-yl)oxyphenyl]propanoate Openeye Name: ethyl 2-[4-(1-acetylpyrrolidin-3-yl)oxyphenyl]-3-(5-cyanobenzofuran-2-yl)propanoate CAS Name: 2-[4-[(1-acetyl-3-pyrrolidinyl)oxy]phenyl]-3-(5-cyano-2-benzofuranyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-(1-acetylpyrrolidin-3-yl)oxyphenyl]-3-(5-cyano-1-benzofuran-2-yl)propanoate Traditional Name: 2-[4-(1-acetylpyrrolidin-3-yl)oxyphenyl]-3-(5-cyanobenzofuran-2-yl)propionic acid ethyl ester Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(O1)C=CC(=C2)C#N)C3=CC=C(C=C3)OC4CCN(C4)C(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(O1)C=CC(=C2)C#N)C3=CC=C(C=C3)OC4CCN(C4)C(=O)C

InChI

InChI=1S/C26H26N2O5/c1-3-31-26(30)24(14-23-13-20-12-18(15-27)4-9-25(20)33-23)19-5-7-21(8-6-19)32-22-10-11-28(16-22)17(2)29/h4-9,12-13,22,24H,3,10-11,14,16H2,1-2H3