1-[(E)-(4-dodecoxyphenyl)methylideneamino]-3-[3-(4-methylphenyl)-1-adamantyl]urea

Systemtic Name: 1-[(E)-(4-dodecoxyphenyl)methylideneamino]-3-[3-(4-methylphenyl)-1-adamantyl]urea Openeye Name: 1-[(E)-(4-dodecoxyphenyl)methyleneamino]-3-[3-(p-tolyl)-1-adamantyl]urea CAS Name: 1-[(E)-(4-dodecoxyphenyl)methylideneamino]-3-[3-(4-methylphenyl)-1-adamantyl]urea IUPAC Name: 1-[(E)-(4-dodecoxyphenyl)methylideneamino]-3-[3-(4-methylphenyl)-1-adamantyl]urea Traditional Name: 1-[(E)-(4-lauryloxybenzylidene)amino]-3-[3-(p-tolyl)-1-adamantyl]urea Formula: C37H53N3O2 MolecularWeight: 571.83562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C=NNC(=O)NC23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)/C=N/NC(=O)NC23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)C

InChI

InChI=1S/C37H53N3O2/c1-3-4-5-6-7-8-9-10-11-12-21-42-34-19-15-30(16-20-34)27-38-40-35(41)39-37-25-31-22-32(26-37)24-36(23-31,28-37)33-17-13-29(2)14-18-33/h13-20,27,31-32H,3-12,21-26,28H2,1-2H3,(H2,39,40,41)/b38-27+