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

Systemtic Name: 2-[4-(2-tert-butylphenyl)-2-(3-cyclopentyloxy-4-methoxy-phenyl)but-3-ynyl]guanidine Openeye Name: 2-[4-(2-tert-butylphenyl)-2-[3-(cyclopentoxy)-4-methoxy-phenyl]but-3-ynyl]guanidine CAS Name: 2-[4-(2-tert-butylphenyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)but-3-ynyl]guanidine IUPAC Name: 2-[4-(2-tert-butylphenyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)but-3-ynyl]guanidine Traditional Name: 2-[4-(2-tert-butylphenyl)-2-[3-(cyclopentoxy)-4-methoxy-phenyl]but-3-ynyl]guanidine Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1C#CC(CN=C(N)N)C2=CC(=C(C=C2)OC)OC3CCCC3

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1C#CC(CN=C(N)N)C2=CC(=C(C=C2)OC)OC3CCCC3

InChI

InChI=1S/C27H35N3O2/c1-27(2,3)23-12-8-5-9-19(23)13-14-21(18-30-26(28)29)20-15-16-24(31-4)25(17-20)32-22-10-6-7-11-22/h5,8-9,12,15-17,21-22H,6-7,10-11,18H2,1-4H3,(H4,28,29,30)