[4-[4-[(3,5-dimethyl-1-adamantyl)methyliminomethyl]phenyl]phenyl] ethanoate

Systemtic Name: [4-[4-[(3,5-dimethyl-1-adamantyl)methyliminomethyl]phenyl]phenyl] ethanoate Openeye Name: [4-[4-[(3,5-dimethyl-1-adamantyl)methyliminomethyl]phenyl]phenyl] acetate CAS Name: acetic acid [4-[4-[(3,5-dimethyl-1-adamantyl)methyliminomethyl]phenyl]phenyl] ester IUPAC Name: [4-[4-[(3,5-dimethyl-1-adamantyl)methyliminomethyl]phenyl]phenyl] acetate Traditional Name: acetic acid [4-[4-[(3,5-dimethyl-1-adamantyl)methyliminomethyl]phenyl]phenyl] ester Formula: C28H33NO2 MolecularWeight: 415.56712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C=NCC34CC5CC(C3)(CC(C5)(C4)C)C

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C=NCC34CC5CC(C3)(CC(C5)(C4)C)C

InChI

InChI=1S/C28H33NO2/c1-20(30)31-25-10-8-24(9-11-25)23-6-4-21(5-7-23)15-29-19-28-14-22-12-26(2,17-28)16-27(3,13-22)18-28/h4-11,15,22H,12-14,16-19H2,1-3H3