(E)-3-(1-butyl-4-methoxy-naphthalen-2-yl)-N-(6-pyrimidin-5-ylhexyl)prop-2-enamide

Systemtic Name: (E)-3-(1-butyl-4-methoxy-naphthalen-2-yl)-N-(6-pyrimidin-5-ylhexyl)prop-2-enamide Openeye Name: (E)-3-(1-butyl-4-methoxy-2-naphthyl)-N-(6-pyrimidin-5-ylhexyl)prop-2-enamide CAS Name: (E)-3-(1-butyl-4-methoxy-2-naphthalenyl)-N-[6-(5-pyrimidinyl)hexyl]-2-propenamide IUPAC Name: (E)-3-(1-butyl-4-methoxynaphthalen-2-yl)-N-(6-pyrimidin-5-ylhexyl)prop-2-enamide Traditional Name: (E)-3-(1-butyl-4-methoxy-2-naphthyl)-N-[6-(5-pyrimidyl)hexyl]acrylamide Formula: C28H35N3O2 MolecularWeight: 445.5964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C2=CC=CC=C21)OC)C=CC(=O)NCCCCCCC3=CN=CN=C3

Isomeric SMILES

CCCCC1=C(C=C(C2=CC=CC=C21)OC)/C=C/C(=O)NCCCCCCC3=CN=CN=C3

InChI

InChI=1S/C28H35N3O2/c1-3-4-12-24-23(18-27(33-2)26-14-9-8-13-25(24)26)15-16-28(32)31-17-10-6-5-7-11-22-19-29-21-30-20-22/h8-9,13-16,18-21H,3-7,10-12,17H2,1-2H3,(H,31,32)/b16-15+