2-[2-(3-cyclopentyloxy-4-methoxy-phenyl)-4-naphthalen-2-yl-but-3-ynyl]guanidine

Systemtic Name: 2-[2-(3-cyclopentyloxy-4-methoxy-phenyl)-4-naphthalen-2-yl-but-3-ynyl]guanidine Openeye Name: 2-[2-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-(2-naphthyl)but-3-ynyl]guanidine CAS Name: 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-(2-naphthalenyl)but-3-ynyl]guanidine IUPAC Name: 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-naphthalen-2-ylbut-3-ynyl]guanidine Traditional Name: 2-[2-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-(2-naphthyl)but-3-ynyl]guanidine Formula: C27H29N3O2 MolecularWeight: 427.53806

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=CC3=CC=CC=C3C=C2)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(CN=C(N)N)C#CC2=CC3=CC=CC=C3C=C2)OC4CCCC4

InChI

InChI=1S/C27H29N3O2/c1-31-25-15-14-22(17-26(25)32-24-8-4-5-9-24)23(18-30-27(28)29)13-11-19-10-12-20-6-2-3-7-21(20)16-19/h2-3,6-7,10,12,14-17,23-24H,4-5,8-9,18H2,1H3,(H4,28,29,30)