[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate CAS Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate Traditional Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C30H37NO4 MolecularWeight: 475.61908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C30H37NO4/c1-29(2,3)25-8-10-26(11-9-25)34-18-20-4-6-24(7-5-20)28(33)35-19-27(32)31-30-15-21-12-22(16-30)14-23(13-21)17-30/h4-11,21-23H,12-19H2,1-3H3,(H,31,32)