(E)-N-(4-butylphenyl)-2-cyano-3-[3-methoxy-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]prop-2-enamide

Systemtic Name: (E)-N-(4-butylphenyl)-2-cyano-3-[3-methoxy-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]prop-2-enamide Openeye Name: (E)-N-(4-butylphenyl)-2-cyano-3-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-yl-ethoxy)phenyl]prop-2-enamide CAS Name: (E)-N-(4-butylphenyl)-2-cyano-3-[3-methoxy-4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]phenyl]-2-propenamide IUPAC Name: (E)-N-(4-butylphenyl)-2-cyano-3-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enamide Traditional Name: (E)-N-(4-butylphenyl)-2-cyano-3-[4-(2-keto-2-pyrrolidino-ethoxy)-3-methoxy-phenyl]acrylamide Formula: C27H31N3O4 MolecularWeight: 461.55274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)OCC(=O)N3CCCC3)OC)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)OCC(=O)N3CCCC3)OC)/C#N

InChI

InChI=1S/C27H31N3O4/c1-3-4-7-20-8-11-23(12-9-20)29-27(32)22(18-28)16-21-10-13-24(25(17-21)33-2)34-19-26(31)30-14-5-6-15-30/h8-13,16-17H,3-7,14-15,19H2,1-2H3,(H,29,32)/b22-16+