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

Systemtic Name: 1-[(E)-(4-cyclooctyloxyphenyl)methylideneamino]-3-[3-(4-methylphenyl)-1-adamantyl]urea Openeye Name: 1-[(E)-[4-(cyclooctoxy)phenyl]methyleneamino]-3-[3-(p-tolyl)-1-adamantyl]urea CAS Name: 1-[(E)-(4-cyclooctyloxyphenyl)methylideneamino]-3-[3-(4-methylphenyl)-1-adamantyl]urea IUPAC Name: 1-[(E)-(4-cyclooctyloxyphenyl)methylideneamino]-3-[3-(4-methylphenyl)-1-adamantyl]urea Traditional Name: 1-[(E)-[4-(cyclooctoxy)benzylidene]amino]-3-[3-(p-tolyl)-1-adamantyl]urea Formula: C33H43N3O2 MolecularWeight: 513.71342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)NN=CC5=CC=C(C=C5)OC6CCCCCCC6

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)N/N=C/C5=CC=C(C=C5)OC6CCCCCCC6

InChI

InChI=1S/C33H43N3O2/c1-24-9-13-28(14-10-24)32-18-26-17-27(19-32)21-33(20-26,23-32)35-31(37)36-34-22-25-11-15-30(16-12-25)38-29-7-5-3-2-4-6-8-29/h9-16,22,26-27,29H,2-8,17-21,23H2,1H3,(H2,35,36,37)/b34-22+