[2-[[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[4-[4-(1,1-dimethylpropyl)phenoxy]anilino]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-[4-(4-tert-amylphenoxy)anilino]-2-keto-ethyl] ester Formula: C30H37NO4 MolecularWeight: 475.61908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C30H37NO4/c1-4-29(2,3)23-5-9-25(10-6-23)35-26-11-7-24(8-12-26)31-27(32)19-34-28(33)30-16-20-13-21(17-30)15-22(14-20)18-30/h5-12,20-22H,4,13-19H2,1-3H3,(H,31,32)