(E)-3-[2,2-bis(3-methoxyphenyl)cyclopropyl]-N-(4-pyrimidin-5-ylbutyl)prop-2-enamide

Systemtic Name: (E)-3-[2,2-bis(3-methoxyphenyl)cyclopropyl]-N-(4-pyrimidin-5-ylbutyl)prop-2-enamide Openeye Name: (E)-3-[2,2-bis(3-methoxyphenyl)cyclopropyl]-N-(4-pyrimidin-5-ylbutyl)prop-2-enamide CAS Name: (E)-3-[2,2-bis(3-methoxyphenyl)cyclopropyl]-N-[4-(5-pyrimidinyl)butyl]-2-propenamide IUPAC Name: (E)-3-[2,2-bis(3-methoxyphenyl)cyclopropyl]-N-(4-pyrimidin-5-ylbutyl)prop-2-enamide Traditional Name: (E)-3-[2,2-bis(3-methoxyphenyl)cyclopropyl]-N-[4-(5-pyrimidyl)butyl]acrylamide Formula: C28H31N3O3 MolecularWeight: 457.56404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CC2C=CC(=O)NCCCCC3=CN=CN=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

COC1=CC=CC(=C1)C2(CC2/C=C/C(=O)NCCCCC3=CN=CN=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C28H31N3O3/c1-33-25-10-5-8-22(15-25)28(23-9-6-11-26(16-23)34-2)17-24(28)12-13-27(32)31-14-4-3-7-21-18-29-20-30-19-21/h5-6,8-13,15-16,18-20,24H,3-4,7,14,17H2,1-2H3,(H,31,32)/b13-12+