N-[5-(3-chloranyl-1-adamantyl)-2-methyl-phenyl]-1-(4-dodecoxyphenyl)methanimine

Systemtic Name: N-[5-(3-chloranyl-1-adamantyl)-2-methyl-phenyl]-1-(4-dodecoxyphenyl)methanimine Openeye Name: N-[5-(3-chloro-1-adamantyl)-2-methyl-phenyl]-1-(4-dodecoxyphenyl)methanimine CAS Name: N-[5-(3-chloro-1-adamantyl)-2-methylphenyl]-1-(4-dodecoxyphenyl)methanimine IUPAC Name: N-[5-(3-chloro-1-adamantyl)-2-methylphenyl]-1-(4-dodecoxyphenyl)methanimine Traditional Name: [5-(3-chloro-1-adamantyl)-2-methyl-phenyl]-(4-lauryloxybenzylidene)amine Formula: C36H50ClNO MolecularWeight: 548.2413

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C=NC2=C(C=CC(=C2)C34CC5CC(C3)CC(C5)(C4)Cl)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C=NC2=C(C=CC(=C2)C34CC5CC(C3)CC(C5)(C4)Cl)C

InChI

InChI=1S/C36H50ClNO/c1-3-4-5-6-7-8-9-10-11-12-19-39-33-17-14-29(15-18-33)26-38-34-21-32(16-13-28(34)2)35-22-30-20-31(23-35)25-36(37,24-30)27-35/h13-18,21,26,30-31H,3-12,19-20,22-25,27H2,1-2H3