2-[2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3-phenylmethoxy-phenyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3-phenylmethoxy-phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[3-benzyloxy-2-[2-(5-bromo-2-methoxy-phenyl)ethyl]phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-phenylmethoxyphenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-phenylmethoxyphenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[3-benzoxy-2-[2-(5-bromo-2-methoxy-phenyl)ethyl]phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C26H27BrN2O2 MolecularWeight: 479.40878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CCC2=C(C=CC=C2OCC3=CC=CC=C3)C4=NCCCN4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CCC2=C(C=CC=C2OCC3=CC=CC=C3)C4=NCCCN4

InChI

InChI=1S/C26H27BrN2O2/c1-30-24-14-12-21(27)17-20(24)11-13-22-23(26-28-15-6-16-29-26)9-5-10-25(22)31-18-19-7-3-2-4-8-19/h2-5,7-10,12,14,17H,6,11,13,15-16,18H2,1H3,(H,28,29)