2-[2-(3-cyclopentyloxy-4-methoxy-phenyl)-4-(4-pyrrol-1-ylphenyl)but-3-ynyl]guanidine

Systemtic Name: 2-[2-(3-cyclopentyloxy-4-methoxy-phenyl)-4-(4-pyrrol-1-ylphenyl)but-3-ynyl]guanidine Openeye Name: 2-[2-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-(4-pyrrol-1-ylphenyl)but-3-ynyl]guanidine CAS Name: 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-[4-(1-pyrrolyl)phenyl]but-3-ynyl]guanidine IUPAC Name: 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-(4-pyrrol-1-ylphenyl)but-3-ynyl]guanidine Traditional Name: 2-[2-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-(4-pyrrol-1-ylphenyl)but-3-ynyl]guanidine Formula: C27H30N4O2 MolecularWeight: 442.5527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CN=C(N)N)C#CC2=CC=C(C=C2)N3C=CC=C3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(CN=C(N)N)C#CC2=CC=C(C=C2)N3C=CC=C3)OC4CCCC4

InChI

InChI=1S/C27H30N4O2/c1-32-25-15-12-21(18-26(25)33-24-6-2-3-7-24)22(19-30-27(28)29)11-8-20-9-13-23(14-10-20)31-16-4-5-17-31/h4-5,9-10,12-18,22,24H,2-3,6-7,19H2,1H3,(H4,28,29,30)