[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(4-hydroxyphenyl)benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(4-hydroxyphenyl)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-(4-hydroxyphenyl)benzoate CAS Name: 4-(4-hydroxyphenyl)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate Traditional Name: 4-(4-hydroxyphenyl)benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)O

InChI

InChI=1S/C25H27NO4/c27-22-7-5-20(6-8-22)19-1-3-21(4-2-19)24(29)30-15-23(28)26-25-12-16-9-17(13-25)11-18(10-16)14-25/h1-8,16-18,27H,9-15H2,(H,26,28)