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

Systemtic Name: 2-[4-(3-chlorophenyl)-2-(3-cyclopentyloxy-4-methoxy-phenyl)but-3-ynyl]guanidine Openeye Name: 2-[4-(3-chlorophenyl)-2-[3-(cyclopentoxy)-4-methoxy-phenyl]but-3-ynyl]guanidine CAS Name: 2-[4-(3-chlorophenyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)but-3-ynyl]guanidine IUPAC Name: 2-[4-(3-chlorophenyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)but-3-ynyl]guanidine Traditional Name: 2-[4-(3-chlorophenyl)-2-[3-(cyclopentoxy)-4-methoxy-phenyl]but-3-ynyl]guanidine Formula: C23H26ClN3O2 MolecularWeight: 411.92444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CN=C(N)N)C#CC2=CC(=CC=C2)Cl)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(CN=C(N)N)C#CC2=CC(=CC=C2)Cl)OC3CCCC3

InChI

InChI=1S/C23H26ClN3O2/c1-28-21-12-11-17(14-22(21)29-20-7-2-3-8-20)18(15-27-23(25)26)10-9-16-5-4-6-19(24)13-16/h4-6,11-14,18,20H,2-3,7-8,15H2,1H3,(H4,25,26,27)